Molecule Details

c1ccc(CN2CCOC(COc3ccccc3CNc3nc4ccccc4[nH]3)C2)cc1

Molecular Properties
SMILES:
c1ccc(CN2CCOC(COc3ccccc3CNc3nc4ccccc4[nH]3)C2)cc1
MW: 428.536
Fraction sp3: 0.27
HBA: 5
HBD: 2
Rotatable Bonds: 8
TPSA: 62.41
cLogP: 4.4548
Covalent Warhead:
Covalent Fragment: ✔️
O=C(CCl)N1CCN(S(=O)(=O)c2cccs2)CC1

LON-WEI-8f408cad-3

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CC1C(Oc2ccccc2CNc2nc3ccccc3[nH]2)CCCN1Cc1ccccc1

MAK-UNK-1bb0b7ee-15
0.500

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O=S1(=O)CC(Oc2ccccc2CNc2nc3ccccc3[nH]2)C1

MAK-UNK-1bb0b7ee-12
0.480

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c1ccc(OC2CCN(Cc3ccsc3)CC2)c(CNc2nc3ccccc3[nH]2)c1

MAK-UNK-a7992eb3-12
0.464

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c1ccc(C2(COc3ccccc3CNc3nc4ccccc4[nH]3)CCCC2)nc1

MAK-UNK-1bb0b7ee-5
0.454

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O=S1(=O)CC(OCC2CN(Cc3ccccc3)CCO2)C1

MAK-UNK-a7992eb3-22
0.454

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c1ccc(CN2CCOC(COc3ccccn3)C2)cc1

MAK-UNK-a7992eb3-23
0.454

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c1ccc(Oc2ccccc2CNc2nc3ccccc3[nH]2)nc1

MAK-UNK-1bb0b7ee-9
0.446

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O=C(Nc1ccccc1OCC1CN(Cc2ccccc2)CCO1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-2
0.435

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Oc1ccc(CN2CCNCC2)cc1CNc1nc2ccccc2[nH]1

MAK-UNK-1ac43cfa-1
0.404

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c1ccc(CN2CCOC(COCC3(c4ccccn4)CCCC3)C2)cc1

MAK-UNK-a7992eb3-24
0.404

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CC(=O)N[C@H](C(=O)NCC#CBr)[C@@H](C)Oc1ccccc1CNc1nc2ccccc2[nH]1

MAK-UNK-1bb0b7ee-14
0.403

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Oc1ccccc1CNc1nc2ccccc2[nH]1

AAR-POS-0daf6b7e-25
0.402

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O=C(Nc1ccccc1Oc1ccccc1CNc1nc2ccccc2[nH]1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-4
0.402

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c1ccc(CN2CCOC(COC3CCN(Cc4ccsc4)CC3)C2)cc1

MAK-UNK-a7992eb3-10
0.382

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OCC1CN(Cc2ccccc2)CCO1

AAR-POS-0daf6b7e-30
0.380

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CC(=O)N[C@H](C(=O)NCC#CBr)[C@@H](C)OCC1CN(Cc2ccccc2)CCO1

MAK-UNK-a7992eb3-21
0.379

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FC(F)c1ccccc1CNc1nc2ccccc2[nH]1

SWA-SYN-40d44a84-5
0.378

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CC(=O)NC(Cc1ccc(Oc2ccccc2CNc2nc3ccccc3[nH]2)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-25
0.364

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O=c1[nH]cccc1CNc1nc2ccccc2[nH]1

SWA-SYN-40d44a84-4
0.360

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CC1C(OCC2CN(Cc3ccccc3)CCO2)CCCN1Cc1ccccc1

MAK-UNK-a7992eb3-20
0.357

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CC(=O)NC(Cc1ccc(OCC2CN(Cc3ccccc3)CCO2)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-18
0.352

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CS(=O)(=O)c1ccc(CNc2nc3ccccc3[nH]2)s1

JAR-KUA-672ec752-12
0.311

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O=C1CC(Oc2cc(Cl)cc(C(CCc3ccccc3)C(=O)Nc3nc4ccccc4[nH]3)c2)N1

ALP-POS-a30bcdb4-2
0.303

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CCN(C)CNc1nc2ccccc2[nH]1

MAK-UNK-3ae66343-2
0.293

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O=C(Cc1cc(Cl)cc(OC2CC(=O)N2)c1)Nc1nc2ccccc2[nH]1

ALP-POS-a30bcdb4-1
0.285

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O=C(Nc1nc2ccccc2[nH]1)C(CCC1CCCCC1)c1cccc(Cl)c1

ALP-POS-3fc1724e-8
0.270

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Oc1ccccc1CN1CCN(c2nc3ccccc3[nH]2)CC1

SWA-SYN-40d44a84-1
0.266

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C=CC(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1

SAD-SAT-f0a2747f-6
0.245

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ClCc1ncc(NCc2nc3ccccc3[nH]2)[nH]1

MAR-TRE-87acfbcc-73
0.241

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COCCCOc1cc(CS)[n+](-c2nc3ccccc3[nH]2)cc1C

MAR-TRE-143fb005-24
0.240

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N=CC1CN(Cc2cccc(Cl)c2)CCO1

ASH-SAT-43770c7d-3
0.239

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C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCc1ccccc1CN1CCCC[C@@H]1C

FRA-BIO-8bf1eac9-8
0.238

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CNC(=O)OC1CCN(Cc2ccccc2)CC1

GIA-UNK-595fac82-5
0.238

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O=C(C(Nc1nc2ccccc2[nH]1)c1ccccc1O)N1CCN(Cc2cccs2)CC1

MAK-UNK-b1d4dcd7-1
0.237

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c1ccc(CN2CCNCC2)cc1

DRA-CSI-47e38074-1
0.234

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Oc1ccccc1CNc1nc2ccccc2n1CN1CCNCC1

MAK-UNK-1ac43cfa-2
0.233

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O=C(S)C1CCN(Cc2ccccc2)CC1

GIA-UNK-5ec6c2b8-3
0.230

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O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2ccccc2)CC1

BEN-DND-7e92b6ca-10
0.229

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O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2ccccc2)CC1

KRI-MAR-d2e3ef86-5
0.229

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O=C(Nc1ccccc1OC1CCN(Cc2ccccc2)CC1)C1CCN(C(=O)CCl)CC1

MED-COV-4280ac29-17
0.228

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O=C(NS(=O)(=O)N1CCN(Cc2ccccc2)CC1)c1cncnc1

MAR-TRE-66ac689e-43
0.228

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O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2ncccc21)NC[C@@H]1CCCO1

MAR-TRE-4b834d9a-28
0.227

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O=C(Nc1ccccc1)c1cccc2[nH]c(NCc3ccccc3O)nc12

SWA-SYN-40d44a84-3
0.225

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O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2ncccc21)NCc1ccccc1Cl

MAR-TRE-04c86cea-92
0.225

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O=C(NC1(C(=O)O)CCN(Cc2ccccc2)C1)c1cncnc1

MAR-TRE-66ac689e-7
0.224

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O=C(Nc1ccccc1OC1CCN(Cc2ccccc2)CC1)C1CC2CC1CN2C(=O)CCl

MAK-UNK-ec98eaf6-5
0.224

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COc1ccc[n+](-c2nc3ccccc3[nH]2)c1CS

MAR-TRE-143fb005-37
0.223

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ClCc1n[nH]cc1NCc1nc2ccccc2[nH]1

MAR-TRE-423310b6-61
0.223

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Cc1c[n+](-c2nc3ccccc3[nH]2)c(CS)cc1OCC(F)(F)F

MAR-TRE-143fb005-14
0.223

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Cc1ccncc1NC(=O)Cc1nc2ccccc2[nH]1

GAB-REV-70cc3ca5-9
0.222

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O=C(NCc1nc2ccccc2c(=O)[nH]1)C1CC(=O)N(Cc2ccncc2)C1

MAR-TRE-c8530538-4
0.221

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N#Cc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1

MAR-TRE-1c920f6f-65
0.220

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O=C(c1ccc(COc2nc(=O)c3c([nH]c(=O)n3-c3cccnc3)n2Cc2ccccc2)cc1)N1CCOCC1

NIM-UNI-7f77122c-2
0.219

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COc1ccccc1OCC(CN1CCOCC1)NC(=O)c1cc(=O)[nH]c2ccccc12

DAR-DIA-8e329c92-8
0.219

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N#Cc1cccc(C(=O)NCCn2c(=O)n(Cc3ccccc3)c3cccnc32)c1

MAR-TRE-04c86cea-14
0.218

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COc1cc(CS)[n+](-c2nc3ccccc3[nH]2)cc1C

MAR-TRE-143fb005-29
0.217

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CCc1nc(SCc2nc3ccccc3[nH]2)c(C#N)cc1C

MAR-TRE-1c920f6f-61
0.217

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O=C(NCc1ccccc1OCCO)C(=O)N[C@H]1C[C@H]1C1CCOCC1

FRA-BIO-8bf1eac9-10
0.216

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O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ncccc21)N1CCN(c2ccccn2)CC1

MAR-TRE-74c6519b-36
0.215

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Cl[Au+]=c1n(Cc2nc3ccccc3[nH]2)ccn1Cc1nc2ccccc2[nH]1

MAR-TRE-d3c2bf0e-16
0.215

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CC(=O)N1CCOC(CNc2ncc(C#N)c(N)n2)C1

MAR-TRE-dab8f6ea-34
0.215

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COCCCOc1cc[n+](-c2nc3ccccc3[nH]2)c(CS)c1

MAR-TRE-143fb005-19
0.213

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O=C(Cc1ccccc1Cl)NCCn1c(=O)n(Cc2ccc(F)cc2)c2cccnc21

MAR-TRE-04c86cea-88
0.212

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N#Cc1cc2c(nc1SCc1nc3ccccc3[nH]1)CCC2

MAR-TRE-14ce9fd6-40
0.211

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O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ncccc21)N1CCN(c2ccccc2)CC1

MAR-TRE-b77b7921-69
0.211

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CS(=O)(=O)Cc1nc2ccccc2[nH]1

AAR-POS-0daf6b7e-39
0.210

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COc1ccccc1CNC(=O)Cn1c(=O)n(C2CCCCC2)c2ncccc21

MAR-TRE-04c86cea-25
0.209

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O=C(NC1(C(=O)O)CCN(Cc2ccccc2)CC1)c1cncnc1

MAR-TRE-66ac689e-83
0.209

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O=C(NCc1cccc(C(=O)N2CCOCC2)c1)c1cnc2c(c1)c(=O)[nH]c(=O)n2Cc1ccccc1

IAN-BAS-647c7407-1
0.208

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FC(F)(F)COc1cc[n+](-c2nc3ccccc3[nH]2)c(CS)c1

MAR-TRE-143fb005-16
0.208

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O=C1CC(Oc2cc(Cl)cc(C(CCc3ccccc3)C(=O)Nn3cnc4ccccc43)c2)N1

MAT-POS-c478e61b-2
0.208

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O=C(CCl)N1CCN(Cc2ccccc2)CC1

MAK-UNK-7c9d1431-24
0.208

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CC(O)CNCc1nc2ccccc2[nH]1

MAK-UNK-3ae66343-1
0.208

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COc1cc(C)c[n+](-c2nc3ccccc3[nH]2)c1CS

MAR-TRE-143fb005-34
0.207

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Cn1cc2c(n1)C(=O)N(C[C@@H]1CCCO1)CN2CCc1ccccc1

PAU-UNI-6d15a9f5-3
0.206

View
O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2ncccc21)NCc1ccc(F)cc1

MAR-TRE-04c86cea-2
0.206

View
O=C(O)CCc1nc2ccccc2[nH]1

MAR-TRE-ebcc4ad6-45
0.206

View
C=CC(=O)N1CCN(Cc2ccccc2)CC1

SAD-SAT-1f400d17-1
0.206

View
COc1ccc(-c2nc3ccc(NC(=O)C4CCN(Cc5ccccc5)CC4)cc3o2)c(Br)c1

DRA-CSI-0a78d9ba-5
0.206

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O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ncccc21)NCCc1ccccc1Cl

MAR-TRE-04c86cea-55
0.205

View
CC(C)Cn1cc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc2c1=O

MAT-POS-b5746674-105
0.205

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COc1ccccc1CNC(=O)Cn1ccc2ccc(N3CCOCC3)nc21

MAR-TRE-3159af1a-52
0.205

View
COc1cccc(C(NC(=O)Cc2cccc(Cl)c2)c2nc3ccccc3[nH]2)c1

ALP-POS-ddb41b15-9
0.205

View
COc1ccccc1CN[C@H](C(=O)Nc1cc(=O)[nH]c2ccccc12)c1cccc(Cl)c1

ADA-UCB-6c2cb422-10
0.204

View
COc1ccc(-c2nc3ccc(NC(=O)C4CCN(Cc5ccccc5)CC4)cc3o2)cc1

DRA-CSI-0a78d9ba-1
0.204

View
N#CCCSCc1nc2ccccc2[nH]1

MAR-TRE-14ce9fd6-30
0.204

View
CC(=O)N1CCOC(CNc2nc(C)nc(O)c2Cl)C1

MAR-TRE-dab8f6ea-21
0.203

View
COCCCOc1cc[n+](-c2nc3ccccc3[nH]2)c(CS)c1OC

MAR-TRE-143fb005-28
0.203

View
O=C(NCCn1c(=O)n(Cc2ccccc2)c2cccnc21)c1ccoc1

MAR-TRE-3e4e6814-64
0.203

View
C=CC(=O)N1CCCN(Cc2ccccc2)CC1

ANT-OPE-c0c3e7cc-1
0.202

View
COCCCOc1cc[n+](-c2nc3ccccc3[nH]2)c(CS)c1C

MAR-TRE-143fb005-13
0.202

View
CSc1cc(OC2CCCCCC2)c2c(c1)c(CN(C)C)cn2Cc1ccccc1

DAR-DIA-eace69ff-8
0.202

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COc1cc[n+](-c2nc3ccccc3[nH]2)c(CS)c1C

MAR-TRE-143fb005-25
0.200

View
COc1ccccc1CNC(=O)Cn1c(=O)c(=O)n(Cc2ccc(C)cc2)c2ncccc21

MAR-TRE-04c86cea-12
0.200

View
CCc1cc(N2CCCCCC2)c2c(c1)c(CN(C)C)cn2Cc1ccccc1

DAR-DIA-eace69ff-12
0.200

View
O=c1[nH]c(=O)n(Cc2ccccc2)c2[nH]c(=O)n(-c3cccnc3)c12

NIM-UNI-7f77122c-1
0.200

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N#Cc1ncc(Nc2cccc(CN3CCN(C(=O)CCl)CC3)c2)cn1

MAK-UNK-849bee6c-4
0.200

View
COc1cc[n+](-c2nc3ccccc3[nH]2)c(CS)c1OC

MAR-TRE-143fb005-31
0.200

View
O=C(NCCn1c(=O)n(Cc2ccc(F)cc2)c2cccnc21)[C@H]1CCOC1

MAR-TRE-d0525fbf-88
0.198

View
Cn1cc(CCCc2ccccc2)c(C(=O)NC[C@@H]2CCCO2)n1

PAU-UNI-6d15a9f5-1
0.198

View
c1ccc(CN2CCOC(CNc3nc4ccccc4[nH]3)C2)cc1

0.684

View
c1ccc(CN2CCCOC(CNc3nc4ccccc4[nH]3)C2)cc1

0.617

View
c1ccc(OCC2CC2)c(CNc2nc3ccccc3[nH]2)c1

0.603

View
c1ccc(OCCN2CCOCC2)c(CNc2nc3ccccc3[nH]2)c1

0.597

View
OCc1ccccc1OCC1CN(Cc2ccccc2)CCCO1

0.590

View
c1ccc(CN2CCOC(CNc3nc4ncccc4[nH]3)C2)cc1

0.587

View
Cc1ccc(CNc2nc3ccccc3[nH]2)c(OCC2CCCO2)c1

0.585

View
O=C(CC1CN(Cc2ccccc2)CCO1)Nc1nc2ccccc2[nH]1

0.578

View
CC1CN(Cc2cccc(CNc3nc4ccccc4[nH]3)c2)CCO1

0.578

View
OCCc1ccccc1OCC1CN(Cc2ccccc2)CCCO1

0.571

View
COCc1ccccc1OCC1CN(Cc2ccccc2)CCCO1

0.571

View
CS(=O)(=O)Cc1ccccc1OCC1CN(Cc2ccccc2)CCCO1

0.569

View
O=c1[nH]c(NCC2CN(Cc3ccccc3)CCO2)nc2ccccc12

0.562

View
O=C(CC1CN(Cc2ccccc2)CCO1)NNc1nc2ccccc2[nH]1

0.561

View
O=C(CC1CN(Cc2ccccc2)CCO1)NCc1ccccc1OCC1CC1

0.559

View
c1ccc(CN2CCCOC(COc3cccc4ncccc34)C2)cc1

0.554

View
O=[N+]([O-])c1ccc2[nH]c(NCC3CN(Cc4ccccc4)CCO3)nc2c1

0.551

View
CC(C)(C)OC(=O)NCc1ccccc1OCC1CN(Cc2ccccc2)CCCO1

0.549

View
CC(Nc1nc2ccccc2[nH]1)C1CN(Cc2ccccc2)CCO1

0.547

View
NC(=O)Cc1ccccc1OCC1CN(Cc2ccccc2)CCCO1

0.545

View
c1ccc(CN2CCOC(CNCc3ccccc3OCc3ccncc3)C2)cc1

0.544

View
CCOc1ccccc1CNc1nc2ccccc2[nH]1

0.544

View
O=C(NCc1ccccc1OCC1CC1)NCC1CN(Cc2ccccc2)CCO1

0.543

View
O=C(NCc1ccccc1OCC1CC1)C(=O)NCC1CN(Cc2ccccc2)CCO1

0.543

View
c1cc(CNc2nc3ccccc3[nH]2)cc(CN2CCOCC2)c1

0.541

View
CCOc1ccccc1OCC1CN(Cc2ccccc2)CCCO1

0.541

View
N#Cc1ccccc1OCC1CN(Cc2ccccc2)CCCO1

0.540

View
c1ccc2[nH]c(NCc3ccc(OCC4CCCO4)cc3)nc2c1

0.540

View
O=C(Nc1nc2ccccc2[nH]1)C1CN(Cc2ccccc2)CCO1

0.538

View
CCOc1ccccc1CNC(=O)CC1CN(Cc2ccccc2)CCO1

0.537

View
NC(=O)CCc1ccccc1OCC1CN(Cc2ccccc2)CCCO1

0.537

View
C#CCOc1ccccc1CNCC1CN(Cc2ccccc2)CCO1

0.537

View
c1ccc(CN2CCOCC2)c(CNc2nc3ccccc3[nH]2)c1

0.533

View
Fc1ccccc1OCC1CN(Cc2ccccc2)CCCO1

0.532

View
Clc1ccccc1OCC1CN(Cc2ccccc2)CCCO1

0.532

View
Cc1ccccc1OCC1CN(Cc2ccccc2)CCCO1

0.532

View
COc1ccccc1OCC1CN(Cc2ccccc2)CCCO1

0.532

View
Fc1cccc(OCC2CN(Cc3ccccc3)CCCO2)c1F

0.531

View
Brc1ncccc1OCC1CN(Cc2ccccc2)CCCO1

0.531

View
c1ccc(CN2CCCOC(CNc3nc4ncccc4[nH]3)C2)cc1

0.530

View
c1ccc(CN2CCCOC(COc3cccc4cccnc34)C2)cc1

0.530

View
CCOc1ccccc1CNCC1CN(Cc2ccccc2)CCCO1

0.530

View
C=CCOc1ccccc1CNC(=O)CC1CN(Cc2ccccc2)CCO1

0.529

View
c1ccc(CN2CCOC(CNCc3ccccc3OCc3cccnc3)C2)cc1

0.529

View
c1ccc(CN2CCCOC(COc3ccccc3)C2)cc1

0.525

View
OC1CCN(Cc2ccccc2CNc2nc3ccccc3[nH]2)C1

0.524

View
Clc1ncccc1OCC1CN(Cc2ccccc2)CCCO1

0.523

View
Cc1ncccc1OCC1CN(Cc2ccccc2)CCCO1

0.523

View
Fc1ncccc1OCC1CN(Cc2ccccc2)CCCO1

0.523

View
c1ccc(CN2CCCOC(COc3cccc4c3OCCO4)C2)cc1

0.523

View
COc1ccccc1CNC(=O)CC1CN(Cc2ccccc2)CCO1

0.522

View
O=C(NNc1nc2ccccc2[nH]1)C1CN(Cc2ccccc2)CCO1

0.522

View
O=C(CC1CN(Cc2ccccc2)CCO1)NCc1nc2ccccc2[nH]1

0.522

View
O=C(CC1CN(Cc2ccccc2)CCO1)N1CC(c2nc3ccccc3[nH]2)C1

0.522

View
Cc1nc2c(OCC3CN(Cc4ccccc4)CCCO3)cccc2o1

0.522

View
COc1cc(CNc2nc3ccccc3[nH]2)ccc1OCC1CCCO1

0.522

View
CC(C)COc1ccccc1CNC(=O)CC1CN(Cc2ccccc2)CCO1

0.522

View
CCOc1ccccc1CNC(=O)NCC1CN(Cc2ccccc2)CCO1

0.522

View
CCOc1ccccc1CNC(=O)C(=O)NCC1CN(Cc2ccccc2)CCO1

0.522

View
C=CCOc1ccccc1CNc1nc2ccccc2[nH]1

0.517

View
c1ccc(CN2CCC(CNc3nc4ccccc4[nH]3)C2)cc1

0.516

View
CCN1CCOC(CNc2nc3ccccc3[nH]2)C1

0.516

View
CN(C)CCOc1ccccc1CNc1nc2ccccc2[nH]1

0.516

View
c1ccc(OCc2ccncc2)c(CNc2nc3ccccc3[nH]2)c1

0.516

View
OCCOc1ccccc1OCC1CN(Cc2ccccc2)CCCO1

0.516

View
Cc1cccc(OCC2CN(Cc3ccccc3)CCCO2)n1

0.516

View
COc1cccc(OC)c1OCC1CN(Cc2ccccc2)CCCO1

0.516

View
CSc1ccccc1OCC1CN(Cc2ccccc2)CCCO1

0.516

View
c1cncc(COc2ccccc2CNc2nc3ccccc3[nH]2)c1

0.516

View
COCC1CN(Cc2ccccc2OCc2ccccc2)CCO1

0.516

View
O=[N+]([O-])c1ccccc1OCC1CN(Cc2ccccc2)CCCO1

0.515

View
Cc1cccc(OCC2CN(Cc3ccccc3)CCCO2)c1F

0.515

View
COc1ccccc1CNCC1CN(Cc2ccccc2)CCCO1

0.515

View
c1ccc(CN2CCOC(CNCc3cccc4[nH]ccc34)C2)cc1

0.515

View
CC(=NNc1nc2ccccc2[nH]1)C1CN(Cc2ccccc2)CCO1

0.515

View
c1ccc(CN2CCCOC(COc3cccc4ocnc34)C2)cc1

0.515

View
c1ccc(CN2CCCOC(COc3cccc4cnoc34)C2)cc1

0.515

View
O=C(CC1CN(Cc2ccccc2)CCO1)NCc1ccccc1OCCO

0.514

View
c1ccc(CN2CCOC(CNCc3ccccc3OCc3cscn3)C2)cc1

0.514

View
Clc1ccc(OCC2CCCO2)c(CNCC2CN(Cc3ccccc3)CCO2)c1

0.514

View
C=CCOc1ccccc1CNC(=O)NCC1CN(Cc2ccccc2)CCO1

0.514

View
C=CCOc1ccccc1CNC(=O)C(=O)NCC1CN(Cc2ccccc2)CCO1

0.514

View
COc1ccccc1CNc1nc2ccccc2[nH]1

0.509

View
FC(F)(F)COc1ccccc1CNc1nc2ccccc2[nH]1

0.508

View
C#CCOc1ccccc1CNc1nc2ccccc2[nH]1

0.508

View
COCCOc1ccccc1CNc1nc2ccccc2[nH]1

0.508

View
c1ccc(CN2CCCOC(COc3ccncc3)C2)cc1

0.508

View
c1ccc(COc2ccccc2CNc2nc3ccccc3[nH]2)nc1

0.508

View
O=Cc1ccccc1OCC1CN(Cc2ccccc2)CCCO1

0.508

View
FC(F)Oc1ccccc1OCC1CN(Cc2ccccc2)CCCO1

0.508

View
Cc1cc(OCC2CN(Cc3ccccc3)CCCO2)cc(C)n1

0.508

View
FC(F)(F)COc1ccccc1OCC1CN(Cc2ccccc2)CCCO1

0.508

View
C#CCOc1ccccc1OCC1CN(Cc2ccccc2)CCCO1

0.508

View
O=c1[nH]c(NCC2CN(Cc3ccccc3)CCCO2)nc2ccccc12

0.507

View
c1cc(CNc2nc3ccccc3[nH]2)cc(COCC2CCCO2)c1

0.507

View
c1ccc(CN2CCCOC(COc3cccc4c3OCCCO4)C2)cc1

0.507

View
c1ccc(CN2CCCOC(COc3ccnc4cccnc34)C2)cc1

0.507

View
COc1ncccc1OCC1CN(Cc2ccccc2)CCCO1

0.507

View
FC(F)(F)Oc1ccccc1CNCC1CN(Cc2ccccc2)CCO1

0.507

View
c1ccc(CN2CCOC(CNCc3ccccc3OC3CCCC3)C2)cc1

0.507

View

C(NC1=NC2=CC(OCC)=CC=C2N1)(=O)C1=CC=C(CN2CC(C)OC(C)C2)C=C1

0.770

View
C(NC1=NC2=CC(OC)=CC=C2N1)(=O)C1=CC=C(CN2CC(C)OC(C)C2)C=C1

0.760

View
C(NC1=NC2=CC(OCC)=CC=C2N1)(=O)C1=CC=C(CN2CCOCC2)C=C1

0.759

View
C(NC1=NC2=CC(OCC)=CC=C2N1)(=O)C1=CC=CC(CN2CCOCC2)=C1

0.750

View
C(NC1=NC2=CC(OC)=CC=C2N1)(=O)C1=CC=C(CN2CCOCC2)C=C1

0.749

View


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