Molecule Details

Molecular Properties
SMILES:
COc1cccc2sc(NC(=O)CCl)nc12
MW: 256.714
Fraction sp3: 0.2
HBA: 4
HBD: 1
Rotatable Bonds: 3
TPSA: 51.22
cLogP: 2.4822
Covalent Warhead: ✔️
Covalent Fragment:
Source
Enamine SCR: Z2242062190
Mcule: MCULE-4705588693
MolPort: MolPort-046-872-216

aminothiazole

O=C(CCl)Nc1nc2c(S(=O)(=O)NCCc3ccccc3)cccc2s1

DUN-NEW-f8ce3686-23
0.443

View
O=C(CCl)Nc1nc2c(C(=O)NCCc3cccc(F)c3)cccc2s1

WAL-WAB-df110a02-1
0.427

View
COc1cccc2sc(NC(=O)C(=O)[C@H](C[C@@H]3CCNC3=O)NC(=O)[C@H](CC(C)C)NS(=O)(=O)NCc3ccccc3)nc12

YUN-WES-58b0dbae-5
0.348

View
COc1cc(NC(=O)CCl)cc(OC)c1OC

MAR-TRE-6a44bbf2-88
0.312

View
COc1cccc(NC(=O)c2conc2CCl)c1O

MAR-TRE-a78003aa-87
0.293

View
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CCl)c1

TAT-ENA-80bfd3e5-36
0.282

View
N#Cc1nc(NC(=O)CCl)cc(NC(=O)CCl)n1

MAK-UNK-72659d64-10
0.273

View
O=C(CCl)Nc1cccnc1

MAK-UNK-ca11b4f7-1
0.273

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O=C(CCl)Nc1cccnc1Cl

AAR-POS-0daf6b7e-20
0.265

View
Cc1nnc(NC(=O)Cc2cccc(Cl)c2F)s1

JAG-UCB-a3ef7265-10
0.259

View
O=C(CCl)Nc1ccccc1

SAD-SAT-6b5a89f0-8
0.258

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N#Cc1nccc(NC(=O)CCl)n1

MAK-UNK-72659d64-1
0.254

View
O=C(CCl)NOCc1ccccc1

MAK-UNK-f983951f-13
0.250

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O=C(CCl)Nc1ccsc1

SAD-SAT-6b5a89f0-10
0.250

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COc1cccc(NC(=O)CN(C)C(=O)CCl)c1

MAR-TRE-6a44bbf2-76
0.250

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COc1ccc(OC)c(NC(=O)c2conc2CCl)c1

MAR-TRE-a78003aa-9
0.247

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COc1cc(N)c(C(=O)c2nc(O)sc2CCl)cc1OC

MAR-TRE-aca67d11-3
0.247

View
CC(=O)Nc1c(C)ccnc1NC(=O)CCl

RAF-SAT-b3ff87a1-4
0.247

View
O=C(CCl)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1

MAR-TRE-6a44bbf2-90
0.247

View
COc1ccc(NC(=O)CCl)cc1S(=O)(=O)N1CCOCC1

MAR-TRE-6a44bbf2-42
0.244

View
C[C@H](c1nc2ccccc2s1)N(C)C(=O)CCl

MAR-TRE-6a44bbf2-64
0.244

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Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-26
0.243

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COc1ccc(OC)c(C(=O)c2nc(O)sc2CCl)c1

MAR-TRE-aca67d11-5
0.241

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COc1cc(OC)c(C(=O)c2nc(O)sc2CCl)cc1OC

MAR-TRE-aca67d11-1
0.237

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COc1ccc(Cc2nnc(NC(=O)c3cncnc3)s2)cc1

MAR-TRE-4f781e27-60
0.236

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CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1

AAR-POS-dddeddbf-4
0.235

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Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CCl)n1

MAR-TRE-6a44bbf2-55
0.234

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COc1c(NC(=O)Cc2cccc(Cl)c2Cl)c(C)nn1C

JAG-UCB-a3ef7265-8
0.233

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COc1ccc(NC(=O)c2conc2CCl)c(OC)c1

MAR-TRE-a78003aa-45
0.233

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N#Cc1ncc(NC(=O)CCl)cn1

MAK-UNK-72659d64-3
0.232

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COc1ccc(C(=O)c2nc(O)sc2CCl)cc1OC

MAR-TRE-aca67d11-4
0.232

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O=C(Cc1cccc(Cl)c1)Nc1nncs1

JAN-GHE-5a013bed-7
0.231

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COc1ccc(-c2nc(-c3cccs3)cn2C(=O)CCl)cc1OC

JOH-MR_-42fa5481-8
0.231

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O=C(Cc1cccc(Cl)c1)Nc1nncs1

NAU-LAT-e1818702-10
0.231

View
Cc1cccc(OCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)c1

MAT-POS-b5746674-75
0.229

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COC(=O)C(C)(C)N(Cc1cccc(OC)c1OC)C(=O)C1CCN(C(=O)CCl)CC1

SAD-SAT-29425be4-22
0.229

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COc1cccc(C(=O)c2nc(O)sc2CCl)c1

MAR-TRE-aca67d11-8
0.229

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O=C(CCl)Nc1cccc(C(=O)N2CCSCC2)c1

AAR-POS-d2a4d1df-38
0.229

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Cc1cccc(Cc2cnc(NC(=O)COc3cccc(C)c3)s2)c1

MAT-POS-b5746674-70
0.228

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COc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1

EDJ-MED-00c1612e-1
0.228

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COc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1

PET-UNK-8df914d1-1
0.228

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O=C(COc1ccccc1Cl)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1

MAT-POS-b5746674-73
0.228

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COc1ccc(NC(=O)C[S+]([O-])CC(=O)Nc2cccnc2)cc1

MAR-TRE-7f7bb9f0-90
0.226

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COc1cc(CCC(=O)Nc2cccnc2)cc(OC)c1OC

MAR-TRE-3e4e6814-50
0.226

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COc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12

MAT-POS-3b92565d-1
0.226

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O=C(CCl)Nc1cnc(C2CC2)nc1

YOI-UNK-4c10088f-1
0.225

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CCc1nc(C2C(F)C2F)ncc1NC(=O)CCl

YOI-UNK-97f54f0c-1
0.225

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COc1cc(C(=O)c2nc(O)sc2CCl)cc(OC)c1OC

MAR-TRE-aca67d11-39
0.225

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O=C(CCl)NC1=CSCC1

SAD-SAT-6b5a89f0-1
0.224

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N#Cc1ncc(NC(=O)CCl)c(NC(=O)CCl)n1

MAK-UNK-72659d64-9
0.224

View
C[C@H](NC(=O)CNC(=O)CCl)c1ccc(F)cc1

MAR-TRE-6a44bbf2-81
0.224

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COc1cccc(-c2cc(CC(=O)Nc3cccnc3)no2)c1

MAR-TRE-3e4e6814-79
0.223

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COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(N)nc1

MAR-TRE-f6f5f473-73
0.222

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Cc1ccnc(C)c1NC(=O)Cc1cccc(Cl)c1

EDJ-MED-49816e9b-2
0.222

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Cn1cnnc1NC(=O)Cc1cccc(Cl)c1

JAG-UCB-a3ef7265-17
0.222

View
Cn1cnnc1NC(=O)Cc1cccc(Cl)c1

NAU-LAT-e1818702-7
0.222

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O=C(CCl)NC(=O)OCc1ccccc1

MAK-UNK-f983951f-5
0.222

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COc1ccncc1NC(=O)Cc1csc2ccc(Cl)cc12

BAR-COM-0f94fc3d-44
0.221

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COc1cccc(NC(=O)CSc2nc(N)cc(N)n2)c1

MAR-TRE-f5c2d31c-97
0.221

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CC(NC(=O)CCl)c1cccc2ccccc12

AAR-POS-d2a4d1df-39
0.221

View
O=C(CCl)Nc1ccc(S(=O)(=O)N2CCCC2)cc1

MAR-TRE-6a44bbf2-89
0.221

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COC(=O)Nc1sc(C)nc1-c1ccccc1

AAR-POS-0daf6b7e-35
0.221

View
COc1ccc(Cl)cc1N(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccccc1

MAR-TRE-4b834d9a-79
0.220

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COc1cccc2c(C)cc(SCC#N)nc12

MAR-TRE-1c920f6f-36
0.220

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Cc1noc(C)c1NC(=O)Cc1cccc(Cl)c1Cl

JAG-UCB-a3ef7265-9
0.220

View
O=C(CCl)Nc1cccc(S(=O)(=O)N2CCCC2)c1

AHN-SAT-de2502ba-6
0.220

View
O=C(CCl)Nc1cccc(S(=O)(=O)N2CCCC2)c1

MAR-TRE-6a44bbf2-43
0.220

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CC(=O)C(Cc1ccccc1)NC(=O)CCl

MAK-UNK-f983951f-22
0.219

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COc1ccc(NC(=O)C2CCN(C(=O)CCl)CC2)cn1

LON-WEI-120e5cf5-1
0.218

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O=C(CCl)Nc1cccc(-c2cc3c(s2)CCCC3)c1

WAR-XCH-bdd24732-24
0.218

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O=C(Cc1cccc(Cl)c1)Nc1cnc2ccccc2c1

ALP-POS-3b848b35-3
0.218

View
COc1ccc(NC(=O)C2CCN(C(=O)CCl)CC2)cn1

LON-WEI-120e5cf5-17
0.218

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COc1ccc(NC(=O)C2CCN(C(=O)CCl)CC2)cn1

AAR-POS-5507155c-2
0.218

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COc1ccc(NC(=O)C2CCN(C(=O)CCl)CC2)cn1

AAR-POS-f650c5f2-4
0.218

View
O=C(CCl)NC1=Nc2ccccc2Sc2ccc(Cl)cc21

AVI-UNI-a66764d4-1
0.218

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COc1ccc(NC(=O)c2conc2CCl)c(C(=O)O)c1

MAR-TRE-a78003aa-7
0.218

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CN(CC(=O)Nc1ccccc1Br)C(=O)CCl

TAT-ENA-80bfd3e5-42
0.218

View
O=C(Cc1cccc(Cl)c1)Nc1cnns1

JAN-GHE-5a013bed-6
0.218

View
COc1ccc(Cl)cc1CC(=O)Nc1cn(C)c(=O)c2ccccc12

MAT-POS-3b92565d-7
0.217

View
COc1ccc(NC(=O)C[C@@H](C)CC(=O)Nc2cccnc2)c(OC)c1

MAR-TRE-3e4e6814-6
0.217

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COc1ccc(Cl)cc1NC(=O)CSc1nc(N)cc(O)n1

MAR-TRE-f5c2d31c-94
0.217

View
COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(F)cc1)[C@H](C(=O)O)C2

MAR-TRE-e86a56b5-38
0.217

View
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccnc1)S(C)(=O)=O

KEI-TRE-d5e2018a-2
0.216

View
COc1ccc(NC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)cn1

MAR-TRE-3e4e6814-74
0.216

View
CC(NC(=O)CCl)c1cccc(Cl)c1

AAR-POS-0daf6b7e-10
0.216

View
O=C(CCl)NC(CO)c1cccc(Cl)c1

DAV-CRI-3edb475e-4
0.216

View
CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CCl

MAR-TRE-6a44bbf2-96
0.216

View
COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2cc(Cl)ccc2OC)cc1OC

KEI-TRE-d5e2018a-39
0.216

View
NS(=O)(=O)CCc1cccc2sc(C3CC4CC3N(C(=O)CCl)C4)nc12

MAK-UNK-10799360-13
0.216

View
Cc1nnc(NC(=O)Nc2cccnc2)s1

ALE-HEI-f28a35b5-4
0.215

View
COc1ccc(Cl)cc1CC(=O)Nn1cnc2ccccc21

MAT-POS-3b92565d-10
0.215

View
COc1ccc(N(CC(=O)Nc2cccnc2)S(C)(=O)=O)cc1Cl

KEI-TRE-d5e2018a-54
0.215

View
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCl

MAR-TRE-6a44bbf2-23
0.214

View
O=C(Cc1ccc(F)cc1)Nc1cccc2cc[nH]c12

NAU-LAT-64f4b287-7
0.214

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COc1ccc(-c2nc3c(Cl)nc(NC(=O)Cc4ccc(Cl)cc4)nc3n2C)cc1

DRA-CSI-0a78d9ba-14
0.214

View
Cc1ccnc(N)c1NC(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-18
0.214

View
COc1cc2nnn(CC(=O)NC(CC(N)=O)c3cccn3C)c2cc1OC

ALP-POS-182116e9-3
0.214

View
O=C(CCl)Nc1cccc(S(=O)(=O)N2CCCCC2)c1

AHN-SAT-de2502ba-5
0.214

View
Cc1nnc(NC(=O)CSc2ncccc2C#N)s1

MAR-TRE-6c5ef77a-26
0.213

View
CCCc1cc(NC(=O)CCl)cc(C(=O)N2CCSCC2)c1

MAK-UNK-987948f6-6
0.213

View
CCC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.768

View
COC1=CC=CC2=C1N=C(NC(=O)CO)S2

0.768

View
COC1=CC=CC2=C1N=C(NC(=O)CN)S2

0.754

View
COCC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.741

View
COC(=O)CC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.741

View
COC1=CC=CC2=C1N=C(NC(=O)COCC(=O)NC1=NC3=C(OC)C=CC=C3S1)S2

0.729

View
COC1=CC=CC2=C1N=C(NC(=O)CCCC(=O)NC1=NC3=C(OC)C=CC=C3S1)S2

0.729

View
CCCC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.729

View
CNCC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.729

View
COC1=CC=CC2=C1N=C(NC(=O)CCN)S2

0.729

View
CNCCC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.721

View
COC1=CC=CC2=C1N=C(NC(=O)CSCC(=O)NC1=NC3=C(OC)C=CC=C3S1)S2

0.717

View
COC1=CC=CC2=C1N=C(NC(=O)CC(C)C)S2

0.717

View
COC1=CC=CC2=C1N=C(NC(=O)CC(C)(C)C)S2

0.717

View
COC1=CC=CC2=C1N=C(NC(=O)CN(C)C)S2

0.717

View
COC1=CC=CC2=C1N=C(NC(=O)CSC)S2

0.717

View
COC1=CC=CC2=C1N=C(NC(=O)CC(C)(C)N)S2

0.717

View
COC1=CC=CC2=C1N=C(NC(C)=O)S2

0.709

View
COCCC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.705

View
COC1=CC=CC2=C1N=C(NC(=O)CCC(C)=O)S2

0.705

View
COC1=CC=CC2=C1N=C(NC(=O)CC#N)S2

0.705

View
COC1=CC=CC2=C1N=C(NC(=O)CC(F)(F)F)S2

0.705

View
COC1=CC=CC2=C1N=C(NC(=O)CS(C)(=O)=O)S2

0.705

View
COC1=C2N=C(NC(=O)CC(C)OC)SC2=CC=C1

0.705

View
COC1=CC=CC2=C1N=C(NC(=O)CCC(C)C)S2

0.705

View
COC1=CC=CC2=C1N=C(NC(=O)CC(C)(C)O)S2

0.705

View
COC1=CC=CC2=C1N=C(NC(=O)CC(C)(C)OC)S2

0.705

View
COC1=CC=CC(OC)=C1CC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.694

View
CNC(=O)CCC(=O)NC1=NC2=C(C=CC=C2OC)S1

0.694

View
COC(=O)CCC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.694

View
COC1=CC=CC2=C1N=C(NC(=O)CCC(N)=O)S2

0.694

View
CCCCC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.694

View
COC1=CC=CC2=C1N=C(NC(=O)CNC(C)=O)S2

0.694

View
CCOCC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.694

View
CCNCC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.694

View
COC1=CC=CC2=C1N=C(NC(=O)CCSC)S2

0.694

View
COC1=CC=CC2=C1N=C(NC(=O)CC1CC1)S2

0.694

View
CCSCC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.694

View
COC1=CC=CC2=C1N=C(NC(=O)CC(C)(F)F)S2

0.694

View
COC1=CC=CC2=C1N=C(NC(=O)CC(=O)N(C)C)S2

0.694

View
COC1=CC=CC2=C1N=C(NC(=O)CC(C)N)S2

0.694

View
COC1=CC=CC2=C1N=C(NC(=O)C[C@H](C)N)S2

0.694

View
COC1=CC=CC2=C1N=C(NC(=O)C[C@@H](C)N)S2

0.694

View
COC1=CC=CC2=C1N=C(NC(=O)CNC(C)C)S2

0.694

View
COC1=CC=CC2=C1N=C(NC(=O)COC(C)(C)C)S2

0.683

View
COC1=CC=CC2=C1N=C(NC(=O)CCC(C)(C)C)S2

0.683

View
COC1=CC=CC2=C1N=C(NC(=O)CNC(C)(C)C)S2

0.683

View
CCNC(=O)CCC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.683

View
CCNC(=O)CC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.683

View
COC(=O)NCC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.683

View
COC1=CC=CC2=C1N=C(NC(=O)COC(C)C)S2

0.683

View
CCN(CC)CC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.683

View
COC1=CC=CC2=C1N=C(NC(=O)CCCN)S2

0.683

View
CCCCCC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.672

View
C=CCCC(=O)NC1=NC2=C(C=CC=C2OC)S1

0.672

View
COCCCC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.672

View
COC1=CC=CC2=C1N=C(NC(=O)CCCC(C)=O)S2

0.672

View
CCC(=O)NCC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.672

View
COC1=CC=CC2=C1N=C(NC(=O)COCC(=O)O)S2

0.672

View
COC1=CC=CC2=C1N=C(NC(=O)CC1=CC=CC(Cl)=C1)S2

0.672

View
COC1=CC=CC2=C1N=C(NC(=O)CC1=CC=C(Cl)C=C1)S2

0.667

View
COC1=CC=CC2=C1N=C(NC(=O)C(F)F)S2

0.667

View
COC1=CC=CC(OC)=C1SCC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.662

View
COC1=CC=C(OCC(=O)NC2=NC3=C(OC)C=CC=C3S2)C=C1

0.662

View
COC1=CC=CC2=C1N=C(NC(=O)COC1=CC=CC=C1)S2

0.662

View
CNC(=O)CCCCC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.662

View
CNC(=O)CCCC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.662

View
COC1=CC=CC2=C1N=C(NC(=O)CSC(F)F)S2

0.662

View
COC1=CC=CC2=C1N=C(NC(=O)CC1=CC=CC=C1Cl)S2

0.657

View
COC1=CC=CC2=C1N=C(NC(=O)COC1=C(Cl)C=CC=C1Cl)S2

0.657

View
COC1=CC=CC2=C1N=C(NC(=O)CC1=CC=C(Cl)S1)S2

0.657

View
COC1=CC=CC=C1CC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.652

View
COC1=CC=CC=C1OCC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.652

View
CNC(=O)CSCC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.652

View
COC1=CC=CC2=C1N=C(NC(=O)CCC1=CC=CC=C1)S2

0.652

View
COC1=CC=CC2=C1N=C(NC(=O)C(C)C)S2

0.650

View
COC1=CC=CC2=C1N=C(NC(=O)COC1=CC=C(Cl)C=C1)S2

0.647

View
COC1=CC=CC2=C1N=C(NC(=O)COC1=CC=CC=C1Cl)S2

0.647

View
COC1=CC=C(Cl)C=C1CC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.643

View
COC1=CC=CC2=C1N=C(NC(=O)CC1=CC=CS1)S2

0.642

View
COC1=CC=CC2=C1N=C(NC(=O)CC1=C(F)C=CC=C1F)S2

0.642

View
COC1=C2N=C(NC(=O)C(OC)OC)SC2=CC=C1

0.639

View
CCC(CC)C(=O)NC1=NC2=C(OC)C=CC=C2S1

0.635

View
COC1=CC=CC2=C1N=C(NC(=O)COC1=CC=C(C)C=C1)S2

0.632

View
CCOC1=CC=C(OCC(=O)NC2=NC3=C(OC)C=CC=C3S2)C=C1

0.632

View
COC1=CC=CC2=C1N=C(NC(=O)CCCOC(C)(C)C)S2

0.632

View
COC1=CC=CC2=C1N=C(NC(=O)CC1=C(F)C=CC=C1Cl)S2

0.629

View
COC1=CC=CC2=C1N=C(NC(=O)CSC1=CC=CC=C1)S2

0.623

View
COC1=CC=CC=C1SCC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.614

View
COC1=CC=CC=C1CCC(=O)NC1=NC2=C(OC)C=CC=C2S1

0.614

View
COC1=CC=CC2=C1N=C(NC(=O)CCOC1=CC=CC=C1)S2

0.614

View
COC1=CC=CC2=C1N=C(NC(=O)CCC1=CC=CS1)S2

0.614

View
COC1=CC=C(OCCC(=O)NC2=NC3=C(OC)C=CC=C3S2)C=C1

0.614

View
COC1=CC=CC2=C1N=C(NC(=O)CSC1=NC=CC=N1)S2

0.614

View
COC1=CC=CC2=C1N=C(NC(=O)CSC1=CC=CS1)S2

0.606

View
COC1=CC=CC2=C1N=C(NC(=O)CSC1=NC=C(C)C=N1)S2

0.597

View
COC1=CC=CC2=C1N=C(NC(=O)CCC(=O)C1=CC=CS1)S2

0.597

View
COC1=CC=CC2=C1N=C(NC(=O)CCC1=NC3=CC=CC=C3S1)S2

0.566

View
COC1=CC=CC2=C1N=C(NC(=O)CSC1=NC3=CC=CC=C3S1)S2

0.558

View
COC1=CC=CC(OC)=C1CC(=O)NC1=NC2=C(Cl)C=CC=C2S1

0.529

View
Cl.COc1cccc2sc(NC(=O)CCl)nc12

0.980

View
CCC(=O)Nc1nc2c(OC)cccc2s1

0.768

View
CCCC(=O)Nc1nc2c(OC)cccc2s1

0.729

View
COc1cccc2sc(NC(C)=O)nc12

0.709

View
COc1cccc2sc(NC(=O)CC(F)(F)F)nc12

0.705

View
COc1cccc2sc(NC(=O)CCNC(N)=O)nc12

0.698

View
COc1cccc2sc(NC(N)=O)nc12

0.684

View
COc1cccc2sc(NC(=O)COc3ccccc3)nc12

0.662

View
COc1ccc(CC(=O)Nc2nc3c(OC)cccc3s2)cc1

0.662

View
COc1cccc2sc(NC(=O)CCNC(=O)C(C)(C)C)nc12

0.657

View
COc1cccc2sc(NC(=O)COc3ccc(Cl)cc3)nc12

0.647

View
COc1cccc2sc(NC(=O)Cc3ccsc3)nc12

0.642

View
COc1cccc2sc(NC(=O)CC3CC4CCC3C4)nc12 |TLB:12:13:16.17:19|

0.629

View
COc1cccc2sc(NC(=O)CSc3ccccc3)nc12

0.623

View
COc1cccc2sc(NC(=O)COC3CCCC3)nc12

0.614

View
COc1cccc2sc(NC(=O)C3CCCCC3)nc12

0.606

View
COc1cccc2sc(NC(=O)c3ccccc3)nc12

0.600

View
COc1cccc2sc(NC(=O)c3ccc(cc3)C(C)(C)C)nc12

0.600

View
COc1cccc2sc(NC(=O)c3ccc(Cl)cc3)nc12

0.597

View
COc1cccc2sc(NC(=O)c3ccccc3Cl)nc12

0.597

View
COc1ccc(cc1)C(=O)Nc1nc2c(OC)cccc2s1

0.591

View
COc1ccccc1C(=O)Nc1nc2c(OC)cccc2s1

0.591

View
COc1cccc2sc(NC(=O)c3ccc(C)cc3)nc12

0.582

View
COc1cccc2sc(NC(=O)c3ccc(cc3)C(C)=O)nc12

0.582

View
COc1cccc2sc(NC(=O)c3cccs3)nc12

0.582

View
COc1cccc2sc(NC(=O)c3ccco3)nc12

0.582

View
COc1cccc2sc(NC(=O)c3cccc(Cl)c3)nc12

0.580

View
COc1cccc2sc(NC(=O)c3cc(C)cc(C)c3)nc12

0.574

View
COc1cccc2sc(NC(=O)c3ccsc3)nc12

0.574

View
COc1cc(OC)cc(c1)C(=O)Nc1nc2c(OC)cccc2s1

0.574

View
COc1cccc2sc(NC(=O)c3ccc(Br)cc3)nc12

0.574

View
COc1cccc2sc(NC(=O)\C=C\c3ccccc3)nc12

0.571

View
COc1cccc2sc(NC(=O)C3CCN(CC3)C(C)=O)nc12

0.571

View
COc1cccc2sc(NC(=O)c3cccc(C)c3)nc12

0.565

View
COc1cccc2sc(NC(=O)c3ccccc3F)nc12

0.565

View
COc1cccc(c1)C(=O)Nc1nc2c(OC)cccc2s1

0.557

View
COc1cccc2sc(NC(=O)c3ccc(cc3)N(C)C)nc12

0.557

View
COc1cccc2sc(NC(=O)c3cccnc3)nc12

0.557

View
CCOc1ccc(cc1)C(=O)Nc1nc2c(OC)cccc2s1

0.556

View
CCOc1cccc2sc(NC(=O)CC)nc12

0.554

View
COc1cccc2sc(NC(=O)c3ccc(cc3)C#N)nc12

0.549

View
COc1cccc2sc(NC(=O)c3ccc(Cc4ccccc4)cc3)nc12

0.541

View
COc1ccc(C(=O)Nc2nc3c(OC)cccc3s2)c(O)c1

0.534

View
COc1cccc2sc(NC(=O)c3ccc(CNC(C)=O)cc3)nc12

0.533

View
COc1cccc2sc(NC(=O)c3ccc(cc3)C(=O)c3ccccc3)nc12

0.527

View
CCOc1cccc2sc(NC(C)=O)nc12

0.508

View
COc1cccc2sc(NCCCN(C)C)nc12

0.500

View
CCN(CC)CCNc1nc2c(OC)cccc2s1

0.500

View
CCOc1cccc2sc(NC(=O)Cc3ccccc3)nc12

0.493

View
CCOc1cccc2sc(NC(=O)COc3ccccc3)nc12

0.486

View
COc1cccc2sc(NCc3ccccc3)nc12

0.485

View
CCOc1cccc2sc(NC(=O)C(C)C)nc12

0.471

View
CCOc1cccc2sc(NC(=O)c3ccc(OC)cc3)nc12

0.461

View
CCOc1cccc2sc(NC(=O)c3ccc(Cl)cc3)nc12

0.442

View
CCOc1cccc2sc(NC(=O)c3ccccc3)nc12

0.440

View
CCOc1cccc2sc(NC(=O)c3cccc(Cl)c3)nc12

0.430

View
COc1ccc2nc(NC(=O)CCl)sc2c1

0.429

View
CCOc1cccc2sc(NC(=O)c3cccs3)nc12

0.429

View
CCOc1cccc2sc(NC(=O)c3cc(C)cc(C)c3)nc12

0.423

View
CCOc1ccc(cc1)C(=O)Nc1nc2c(OCC)cccc2s1

0.423

View
CCOc1cccc2sc(NC(=O)c3ccc(cc3)C#N)nc12

0.407

View
COc1cccc2sc(nc12)N1CCN(CC1)c1nc2c(OC)cccc2s1

0.406

View
CCOc1cccc2sc(NC(=O)c3ccc(cc3)-c3ccccc3)nc12

0.398

View
CCOc1cccc2sc(NC(=O)c3ccc(Cc4ccccc4)cc3)nc12

0.393

View
CCC(=O)Nc1nc2c(OC)ccc(OC)c2s1

0.377

View
CCC(=O)Nc1nc2c(OC)ccc(C)c2s1

0.375

View
CCOc1ccc2nc(NC(=O)CCl)sc2c1

0.373

View
CCCC(=O)Nc1nc2c(OC)ccc(OC)c2s1

0.361

View
CCCC(=O)Nc1nc2c(OC)ccc(C)c2s1

0.360

View
CCCC(=O)Nc1nc2c(OC)ccc(Cl)c2s1

0.355

View
CCOc1cccc2sc(NCCN(C)C)nc12

0.355

View
COc1ccc(OC)c2sc(NC(C)=O)nc12

0.348

View
COc1ccc(C)c2sc(NC(C)=O)nc12

0.348

View
COc1ccc(Cl)c2sc(NC(C)=O)nc12

0.343

View
COc1cccc2sc(nc12)N1CCN(CC1)c1nc2ccccc2s1

0.333

View
COc1ccc(OC)c2sc(NC(=O)C3CC3)nc12

0.329

View
COc1ccc2nc(NC(=O)CCCCl)sc2c1

0.325

View
COc1ccc(C)c2sc(NC(=O)C(C)C)nc12

0.320

View
COc1ccc(C)c2sc(NC(=O)C(C)(C)C)nc12

0.320

View
COc1ccc(OC)c2sc(NC(=O)C(C)C)nc12

0.319

View
COc1ccc(OC)c2sc(NC(=O)C(C)(C)C)nc12

0.319

View
CCC(=O)Nc1nc2ccc(OC)cc2s1

0.303

View
COc1ccc2nc(NC(=O)CBr)sc2c1

0.299

View
Cl.COc1ccc2nc(NC(=O)CN)sc2c1

0.295

View
COCC(=O)Nc1nc2ccc(OC)cc2s1

0.295

View
COc1ccc2nc(NC(=O)COCC(=O)Nc3nc4ccc(OC)cc4s3)sc2c1

0.291

View
CCCC(=O)Nc1nc2ccc(OC)cc2s1

0.291

View
Cl.CCOc1cccc2sc(nc12)N(CCN(C)C)C(C)=O

0.289

View
COc1ccc2nc(NC(=O)CSC)sc2c1

0.287

View
CCOCC(=O)Nc1nc2ccc(OC)cc2s1

0.280

View
Cl.CCOc1cccc2sc(nc12)N(CCCN(C)C)C(C)=O

0.279

View
COc1ccc2nc(NC(C)=O)sc2c1

0.270

View
COc1ccc2nc(NC(=O)C(C)Cl)sc2c1

0.263

View
CCOc1ccc2nc(NC(=O)CBr)sc2c1

0.256

View
COc1ccc2nc(NC(=O)C(C)C)sc2c1

0.253

View
COc1ccc2nc(NC(=O)C(C)(C)C)sc2c1

0.253

View
CC(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1

0.247

View
CCOc1ccc2nc(NC(C)=O)sc2c1

0.241

View
CC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1

0.241

View
CCOc1ccc2nc(NC(=O)C(Cl)(Cl)Cl)sc2c1

0.238

View
C(NC1SC2=CC=CC(OC)=C2N=1)(=O)C

0.964

View
C(NC1SC2=CC=CC(OC)=C2N=1)(C(Cl)Cl)=O

0.944

View
C(NC1SC2=CC=CC(OC)=C2N=1)(=O)CC

0.942

View
C(NC1SC2=CC=CC(OC)=C2N=1)(=O)CC=C

0.926

View
C(NC1SC2=CC=CC(OC)=C2N=1)(=O)CC#N

0.921

View

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