Molecule Details

Molecular Properties
SMILES:
OCC1(c2ccccn2)CCCC1
MW: 177.247
Fraction sp3: 0.55
HBA: 2
HBD: 1
Rotatable Bonds: 2
TPSA: 33.12
cLogP: 1.8857
Covalent Warhead:
Covalent Fragment:
Source
MolPort: MolPort-029-513-965
c1ccc(OCC2(c3ccccn3)CCCC2)nc1

MAK-UNK-1bb0b7ee-1
0.500

View
O=S1(=O)CC(OCC2(c3ccccn3)CCCC2)C1

MAK-UNK-1bb0b7ee-2
0.455

View
CC1C(OCC2(c3ccccn3)CCCC2)CCCN1Cc1ccccc1

MAK-UNK-1bb0b7ee-4
0.365

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@H](C)OCC1(c2ccccn2)CCCC1

MAK-UNK-1bb0b7ee-3
0.360

View
c1ccc(C2(COC3CCN(Cc4ccsc4)CC3)CCCC2)nc1

MAK-UNK-a7992eb3-17
0.342

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

MAK-UNK-a7992eb3-24
0.342

View
O=C(Nc1ccccc1OCC1(c2ccccn2)CCCC1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-9
0.321

View
CC(=O)NC(Cc1ccc(OCC2(c3ccccn3)CCCC2)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-30
0.318

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

MAK-UNK-1bb0b7ee-5
0.309

View
Oc1ccccn1

AAR-POS-0daf6b7e-37
0.308

View
O=C(CC1(c2ccccc2)CCCC1)Nc1cccnc1

CHR-SOS-f7373dd1-4
0.269

View
O=C(CSc1ccccn1)N(C1CCS(=O)(=O)C1)C1(O)CCC1

NJA-MAN-b8640440-16
0.257

View
O=C(CSc1ccccn1)N(C1CCS(=O)(=O)C1)C1(CO)CC1

NJA-MAN-b8640440-21
0.253

View
O=C(CCl)N1CCN(c2ccccn2)CC1

SAD-SAT-5b1897b2-3
0.250

View
O=C(Nc1ccccc1O)C1(C#Cc2ccccn2)CCCCC1

WAR-XCH-b0339bbe-17
0.243

View
O=C(CSc1ccccn1)C(O)C1CCS(=O)(=O)C1

NJA-MAN-b8640440-43
0.243

View
O=C(CC1(c2ccccc2)CCCCC1)Nc1cccnc1

CHR-SOS-f7373dd1-1
0.243

View
O=C(CC1(c2cccnc2)CCCC1)Nc1cccnc1

CHR-SOS-f7373dd1-5
0.242

View
N#Cc1ccc(NCC2(C#Cc3ccccn3)CCCCC2)nc1

WAR-XCH-b0339bbe-16
0.240

View
N#Cc1ccccc1CNC1(C#Cc2ccccn2)CCCCC1

WAR-XCH-b0339bbe-13
0.237

View
O=C(NCCN1CCN(c2ccccc2)CC1)NCc1ccccn1

TRI-UNI-97428359-1
0.237

View
Cc1ncc(C2(CC(=O)Nc3cccnc3)CCCC2)s1

CHR-SOS-f7373dd1-6
0.233

View
O=C(CC1(NC2(C#Cc3ccccn3)CCCC2)CCCCC1)Nc1cccnc1

WAR-XCH-e55cba98-13
0.233

View
OCc1ccncc1CCc1ccnc(C2(C#Cc3ccccn3)CCCCC2)c1

WAR-XCH-bdd24732-21
0.230

View
O=C(CSc1ccccn1)N(C1CCS(=O)(=O)C1)C1(O)CC1

NJA-MAN-b8640440-6
0.230

View
O=C(CSc1ccccn1)N(C1CCCC1)C1CCS(=O)(=O)C1

NJA-MAN-b9fb953f-6
0.230

View
CC(=O)N1CCN(C(=O)Cc2ccccn2)CC1

JON-UIO-066ce08b-3
0.230

View
O=C(CC1(C#Cc2ccccn2)CCCCC1)Nc1cccnc1

CHR-SOS-b301fc01-1
0.228

View
C[C@@H](O)c1ccc(C2(CNC(=O)C(=O)Nc3cccnc3)CCCC2)s1

MAR-TRE-04c86cea-76
0.225

View
O=C(CSc1ccccn1)N(c1ccn[nH]1)C1CCS(=O)(=O)C1

NJA-MAN-00c90aa2-14
0.225

View
O=C(CSc1ccccn1)N(C1CCCCC1)C1CCS(=O)(=O)C1

NJA-MAN-b9fb953f-4
0.224

View
OCc1ccncc1-c1cc(C2(C#Cc3ccccn3)CCCCC2)ccn1

WAR-XCH-79d12f6e-15
0.224

View
C(#CC1(c2cc(CCc3cn[nH]c3)ccn2)CCCCC1)c1ccccn1

WAR-XCH-bdd24732-35
0.222

View
O=C(CSc1ccccn1)C(CO)C1CCS(=O)(=O)C1

NJA-MAN-b8640440-44
0.219

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c1ccc(N2CCC3(CCOC3)C2)nc1

SAN-PRI-c9355cc8-1
0.219

View
O=S1(=O)CC(Oc2ccccn2)C1

MAK-UNK-1bb0b7ee-6
0.218

View
OCc1ccncc1-c1cc(C2(c3ccccc3)CCCCC2)ccn1

WAR-XCH-79d12f6e-13
0.218

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CC1(N(C(=O)CSc2ccccn2)C2CCS(=O)(=O)C2)COC1

NJA-MAN-b8640440-19
0.218

View
O=C(Cc1c[nH]c2ncccc12)NCC1(C(=O)O)CCCCC1

MAR-TRE-3159af1a-41
0.218

View
CC(C)(CO)N(C(=O)CSc1ccccn1)C1CCS(=O)(=O)C1

NJA-MAN-b8640440-33
0.218

View
O=C(CC1(c2cccnc2)CCCCC1)Nc1cccnc1

CHR-SOS-f7373dd1-2
0.217

View
O=C(c1ccccc1)N(C1CCC(O)CC1)C1(C#Cc2ccccn2)CCCCC1

WAR-XCH-bdd24732-44
0.217

View
NS(=O)(=O)c1cccc(C2(C#Cc3ccccn3)CCCC2)c1

WAR-XCH-e55cba98-12
0.216

View
O=C(NC1(CO)CCCc2ccccc21)c1cncnc1

MAR-TRE-9d18ae8c-68
0.216

View
O=C(CSc1ccccn1)N(CC1(O)CC1)C1CCS(=O)(=O)C1

NJA-MAN-b8640440-17
0.215

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COC1(N(C(=O)CSc2ccccn2)C2CCS(=O)(=O)C2)CC1

NJA-MAN-b8640440-23
0.215

View
Cc1ncc(C2(NC3(C#Cc4ccccn4)CCCC3)CCCCC2)s1

WAR-XCH-e55cba98-1
0.215

View
Cc1ccncc1NC(=O)NC1(C#Cc2ccccn2)CCC1

CHR-SOS-6c45c019-7
0.215

View
O=C(CSc1ccccn1)N(C1COC1)C1CCS(=O)(=O)C1

NJA-MAN-b8640440-5
0.213

View
O=C(CSc1ccccn1)N(OCCO)C1CCS(=O)(=O)C1

NJA-MAN-b8640440-13
0.213

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COc1ccc(C2CC2C(F)c2ccccn2)cc1OC

JON-UNI-93996c9d-11
0.211

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O=C(CC1(Oc2ccccc2)CCC1)Nc1cccnc1

CHR-SOS-70e4c98a-8
0.211

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O=C(CSc1ccccn1)N(C1CC(O)C1)C1CCS(=O)(=O)C1

NJA-MAN-b8640440-15
0.211

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CC(C)(O)N(C(=O)CSc1ccccn1)C1CCS(=O)(=O)C1

NJA-MAN-b8640440-12
0.211

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NS(=O)(=O)N(C(=O)CSc1ccccn1)C1CCS(=O)(=O)C1

NJA-MAN-b8640440-37
0.211

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Cc1ncc(C2(CC(=O)Nc3cccnc3)CCCCC2)s1

CHR-SOS-f7373dd1-3
0.211

View
O=C(CSc1ccccn1)N(C1CCS(=O)(=O)C1)C1CCCO1

NJA-MAN-b8640440-22
0.210

View
Cc1ccncc1NC(=O)NC1(C#Cc2ccccn2)CCCC1

CHR-SOS-6c45c019-4
0.210

View
Cc1ccc(N2CCN(CCNC(=O)NCc3ccccn3)CC2)cc1

TRI-UNI-97428359-2
0.210

View
O=C(Nc1ccccc1)N(C1CCC(O)CC1)C1(C#Cc2ccccn2)CCCCC1

WAR-XCH-bdd24732-43
0.209

View
NN(C(=O)CSc1ccccn1)C1CCS(=O)(=O)C1

NJA-MAN-b8640440-41
0.208

View
O=C(CC1(Cc2ccccc2)CCCC1)Nc1cccnc1

CHR-SOS-59746812-1
0.208

View
CN(C)C(=O)N(C(=O)CSc1ccccn1)C1CCS(=O)(=O)C1

NJA-MAN-b8640440-26
0.208

View
O=C(CSc1ccccn1)N(C1CCS(=O)(=O)C1)C1CCO1

NJA-MAN-b8640440-47
0.208

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O=C(CSc1ccccn1)N(C1CCS(=O)(=O)C1)C1CCN1

NJA-MAN-b8640440-48
0.208

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Cc1ccnc2[nH]c(CC3(c4cccnc4)CCCCC3)nc12

WAR-XCH-b0339bbe-1
0.208

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Cl[Au+]=c1n(Cc2ccccn2)ccn1Cc1ccccn1

MAR-TRE-d3c2bf0e-57
0.207

View
O=C(NC1CCCCC1)N(C1CCC(O)CC1)C1(C#Cc2ccccn2)CCCCC1

WAR-XCH-bdd24732-42
0.207

View
CC(=O)N1CCN(C(=O)C(F)c2ccccn2)CC1

JON-UIO-066ce08b-1
0.206

View
N#Cc1ccccc1COC(=O)c1ccccn1

MAR-TRE-14ce9fd6-87
0.206

View
CS(=O)(=O)NCCC(c1ccccc1)C(O)Nc1ccccn1

AND-WAB-6ed53ced-1
0.205

View
O=C(CC1(Oc2ccccc2)CCCC1)Nc1cccnc1

CHR-SOS-70e4c98a-3
0.205

View
O=C(CC1(Cc2ccccc2)CCCCC1)Nc1cccnc1

CHR-SOS-59746812-5
0.205

View
CS(O)(O)NCCC(c1ccccc1)C(O)Nc1ccccn1

AND-WAB-bfd3647f-1
0.205

View
Cc1ccncc1NC(=O)NC1(C#Cc2ccccn2)CCCCC1

CHR-SOS-6c45c019-1
0.205

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N=C(S)c1ncccn1

AAR-POS-5507155c-3
0.205

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NC(=O)N1CCN(C(=O)C(O)(F)c2ccccn2)CC1

JON-UIO-066ce08b-2
0.203

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Oc1nc(CCc2ccccn2)c(CCl)s1

MAR-TRE-aca67d11-35
0.203

View
COC(C(=O)CSc1ccccn1)C1CCS(=O)(=O)C1

NJA-MAN-b8640440-46
0.203

View
O=C(NC1(C(=O)O)CCCCc2ccccc21)c1cncnc1

MAR-TRE-9d18ae8c-27
0.203

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Cc1ncccc1NC(=O)C[C@]1(C(=O)Nc2cccnc2C)CCNC1

MAR-TRE-7f7bb9f0-95
0.203

View
CN(C(N)=O)N(C(=O)CSc1ccccn1)C1CCS(=O)(=O)C1

NJA-MAN-b8640440-32
0.203

View
O=C(CSc1ccccn1)N(C1CCS(=O)(=O)C1)C1(O)COC1

NJA-MAN-b8640440-29
0.203

View
COC(C)(C)N(C(=O)CSc1ccccn1)C1CCS(=O)(=O)C1

NJA-MAN-b8640440-35
0.203

View
CN(Cc1ccccn1)C(=O)N1CCCCNS(=O)(=O)CC1

RIC-ARG-a8e88843-1
0.203

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Cn1ccc2cccc(C3(C#Cc4ccccn4)CCCCC3)c21

WAR-XCH-79d12f6e-16
0.203

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O=C(CSc1ccccn1)N(CCCO)C1CCS(=O)(=O)C1

NJA-MAN-b8640440-11
0.203

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O=C(CSc1ccccn1)N(c1cccc(=O)[nH]1)C1CCS(=O)(=O)C1

NJA-MAN-00c90aa2-47
0.202

View
O=C(NCCN1CCN(c2ccc(C(F)(F)F)cc2)CC1)NCc1ccccn1

TRI-UNI-97428359-3
0.202

View
Cc1ccncc1NCc1ccncc1NC1(C#Cc2ccccn2)CCCCC1

WAR-XCH-bdd24732-45
0.202

View
Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1

AAR-POS-0daf6b7e-42
0.200

View
O=C(NC1(CO)Cc2ccccc2C1)c1cncnc1

MAR-TRE-9d18ae8c-61
0.200

View
O=C(Oc1cncc(Br)c1)c1ccccn1

MAR-LAB-ca4662a6-10
0.200

View
O=C(CSc1ccccn1)N(c1ccncc1)C1CCS(=O)(=O)C1

NJA-MAN-00c90aa2-45
0.200

View
c1ccc(CN2CCOC(COc3ccccn3)C2)cc1

MAK-UNK-a7992eb3-23
0.200

View
O=S(=O)(c1ccsc1)N1CCN(C2(C#Cc3ccccn3)CCCC2)CC1

WAR-XCH-e55cba98-8
0.200

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COc1cccc(CC2(NC(=O)c3cncnc3)CC2)c1

MAR-TRE-4f781e27-35
0.200

View
O=C(CSc1ccccn1)N(C1CCOC1)C1CCS(=O)(=O)C1

NJA-MAN-b8640440-14
0.200

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CC1C(Oc2ccccn2)CCCN1Cc1ccccc1

MAK-UNK-1bb0b7ee-8
0.200

View
CN(N(C(=O)CSc1ccccn1)C1CCS(=O)(=O)C1)S(C)(=O)=O

NJA-MAN-b8640440-50
0.200

View
O=C(NCC1(C2=CC=CC=N2)CCC1)NCC1(C2=CC=CC=N2)CCC1

0.532

View
O=C(NCC1(CO)CCC1)NCC1(C2=CC=CC=N2)CCC1

0.528

View
O=C(CO)NCC1(C2=CC=CC=N2)CCC1

0.520

View
O=C(O)C(=O)NCC1(C2=CC=CC=N2)CCC1

0.520

View
CC(O)CNCC1(C2=CC=CC=N2)CCC1

0.520

View
C[C@@H](O)CNCC1(C2=CC=CC=N2)CCC1

0.520

View
C[C@H](O)CNCC1(C2=CC=CC=N2)CCC1

0.520

View
O=C(NCC1(CO)CC1)NCC1(C2=CC=CC=N2)CCC1

0.519

View
OC1(CNCC2(C3=CC=CC=N3)CCC2)CCC1

0.510

View
CC(=O)NCC1(C2=CC=CC=N2)CCC1

0.510

View
CS(=O)(=O)NCC1(C2=CC=CC=N2)CCC1

0.510

View
NS(=O)(=O)NCC1(C2=CC=CC=N2)CCC1

0.510

View
NC(=O)NCC1(C2=CC=CC=N2)CCC1

0.510

View
OC1(CNCC2(C3=CC=CC=N3)CCC2)CCCC1

0.510

View
CC(O)C(C)NCC1(C2=CC=CC=N2)CCC1

0.510

View
C[C@H](NCC1(C2=CC=CC=N2)CCC1)[C@@H](C)O

0.510

View
O=C(NCC1(C2=CC=CC=N2)CCC1)C1(CO)CC1

0.509

View
O=C(NCC1(CO)CCCC1)NCC1(C2=CC=CC=N2)CCC1

0.509

View
C1=CC=C(C2(CNCC3CC3)CCC2)N=C1

0.500

View
OCC1(CC(O)CNCC2(C3=CC=CC=N3)CCC2)CCCC1

0.492

View
O=C(NCC1(C2=CC=CC=N2)CCC1)NC1(CO)CCCC1

0.491

View
O=C(NCC1(CO)CCCCC1)NCC1(C2=CC=CC=N2)CCC1

0.491

View
O=C(NCC1(C2=CC=CC=N2)CCC1)NC1(CO)CCC1

0.491

View
O=C(CCO)NCC1(C2=CC=CC=N2)CCC1

0.491

View
CC(CCO)NCC1(C2=CC=CC=N2)CCC1

0.491

View
O=C(CC1(CO)CCC1)NCC1(C2=CC=CC=N2)CCC1

0.482

View
O=C(NCC1(C2=CC=CC=N2)CCC1)C1(O)CCCC1

0.481

View
O=C(NCCO)NCC1(C2=CC=CC=N2)CCC1

0.481

View
OC1(CNCC2(C3=CC=CC=N3)CC2)CCCC1

0.481

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Br.CNC(=NCC1(C2=CC=CC=N2)CCC1)NC

0.481

View
Br.CN(C)C(=NCC1(C2=CC=CC=N2)CCC1)N(C)C

0.481

View
O=C(NCC1(C2=CC=CC=N2)CCC1)C1(O)CC1

0.481

View
O=C(NCC1(C2=CC=CC=N2)CCC1)C1(O)CCC1

0.481

View
C1=CC=C(NCC2(C3=CC=CC=N3)CCC2)N=C1

0.480

View
C1=CC=C(C2(CNC3=NC=CC=N3)CCC2)N=C1

0.480

View
C1=CC=C(C2(CNC3=NC=CN=C3NCC3(C4=CC=CC=N4)CCC3)CCC2)N=C1

0.480

View
CC1(CNCC2(C3=CC=CC=N3)CCC2)CC1

0.480

View
FC1(CNCC2(C3=CC=CC=N3)CCC2)CC1

0.480

View
CC1(CNCC2(C3=CC=CC=N3)CCC2)CCC1

0.480

View
OC1(CNCC2(C3=CC=CC=N3)CC2)CCC1

0.480

View
CC(C)(C)CNCC1(C2=CC=CC=N2)CCC1

0.480

View
CC(C)CNCC1(C2=CC=CC=N2)CCC1

0.480

View
CCC(CC)NCC1(C2=CC=CC=N2)CCC1

0.480

View
OCC1=CC=C(CNCC2(C3=CC=CC=N3)CCC2)C=C1

0.473

View
O=C(NCC1(C2=CC=CC=N2)CCC1)C1=CC=CC=C1

0.473

View
C=C(CO)C(=O)NCC1(C2=CC=CC=N2)CCC1

0.473

View
C1=CC=C(C2(CNC3=NC=NC(NCC4(C5=CC=CC=N5)CCC4)=C3)CCC2)N=C1

0.472

View
C1=CC=C(C2(CNC3CCCC3)CCC2)N=C1

0.471

View
C1=CC=C(CNCC2(C3=CC=CC=N3)CCC2)N=C1

0.471

View
CC(C)C(C)NCC1(C2=CC=CC=N2)CCC1

0.471

View
OCC1(CC(O)CNCC2(C3=CC=CC=N3)CC2)CCCC1

0.467

View
O=C(NCC1(C2=CC=CC=N2)CCC1)C1(O)CCCCC1

0.464

View
O=C(NCC1(C2=CC=CC=N2)CCC1)C1(O)CCCCCC1

0.464

View
O=C(NCC1(O)CCCC1)NCC1(C2=CC=CC=N2)CCC1

0.464

View
O=S(=O)(CC1=CC=CC=C1)NCC1(C2=CC=CC=N2)CCC1

0.464

View
C1=CC=C(C(NCC2(C3=CC=CC=N3)CCC2)C2=CC=CC=C2)C=C1

0.463

View
CC(NCC1(C2=CC=CC=N2)CCC1)C1(O)CCCCC1

0.456

View
OC1=CN=C(NCC2(C3=CC=CC=N3)CCC2)N=C1

0.455

View
OC1CCC(NCC2(C3=CC=CC=N3)CCC2)CC1

0.455

View
O=C(NCC1(C2=CC=CC=N2)CC1)C1(O)CCCC1

0.455

View
C1=CC=C(C2(CNC3CCCCC3)CCC2)N=C1

0.453

View
C1=CC=C(C2(CNC3CCCCCC3)CCC2)N=C1

0.453

View
O=C(CC1(O)CCCC1)NCC1(C2=CC=CC=N2)CCC1

0.448

View
O=C(O)C1=CC=C(C(=O)NCC2(C3=CC=CC=N3)CCC2)C=C1

0.448

View
O=C(O)C1=CN=C(NCC2(C3=CC=CC=N3)CCC2)N=C1

0.448

View
C1=CC=C(C2(CNC3CC4(CCCC4)C3)CCC2)N=C1

0.446

View
C1=CC=C(C2(CNC3CCCCCCC3)CCC2)N=C1

0.444

View
O=C(NCC1(C2=CC=CC=N2)CC1)C1(CO)CC1

0.444

View
OCC1=CC=NC(NCC2(C3=CC=CC=N3)CCC2)=C1

0.441

View
C1=CC=C(C2(CNCC3=CC=NC=C3)CCC2)N=C1

0.436

View
CN1CCN(C)C1=NCC1(C2=CC=CC=N2)CCC1.I

0.436

View
C1=CC=C(C2(CNC3=CN=CC=N3)CCC2)N=C1

0.436

View
C1=CC=C(C2(CNC3=NC=CS3)CCC2)N=C1

0.436

View
O=C(NCC1(C2=CC=CC=N2)CCC1)C1=CC=C(CO)C=C1

0.433

View
OCC1=CN=CC=C1NCC1(C2=CC=CC=N2)CCC1

0.433

View
OC1=CC=CC=C1C=NCC1(C2=CC=CC=N2)CCC1

0.431

View
CC1CC1C(C)NCC1(C2=CC=CC=N2)CCC1

0.429

View
ClC1=CC=C(CNCC2(C3=CC=CC=N3)CCC2)C=C1

0.429

View
O=C(CC1=CC=CC=C1CO)NCC1(C2=CC=CC=N2)CCC1

0.426

View
OC1=CC=C(CNCC2(C3=CC=CC=N3)CCC2)C=N1

0.424

View
COC1(C(C)NCC2(C3=CC=CC=N3)CCC2)CCCC1

0.424

View
C1=CC=C(C2CCC2NCC2(C3=CC=CC=N3)CCC2)C=C1

0.424

View
BrC1=CC=C(CNCC2(C3=CC=CC=N3)CCC2)C=C1

0.421

View
C1=CC=C(C2(CNCC3=CN=CN=C3)CCC2)N=C1

0.421

View
BrC1=CC=C(NCC2(C3=CC=CC=N3)CCC2)N=C1

0.421

View
FC1=CC=C(CNCC2(C3=CC=CC=N3)CCC2)C=C1

0.421

View
CC1=CC=C(CNCC2(C3=CC=CC=N3)CCC2)C=C1

0.421

View
CCC1=CC=C(CNCC2(C3=CC=CC=N3)CCC2)C=C1

0.421

View
C1=CC=C(C2(CNC3=NC=C(NCC4(C5=CC=CC=N5)CC4)N=C3)CC2)N=C1

0.420

View
O=C(O)CC1=CC=C(C(=O)NCC2(C3=CC=CC=N3)CCC2)C=C1

0.419

View
O=C(NCC1(C2=CC=CC=N2)CCC1)C1=CC=C(Br)C=C1

0.417

View
C1=CC=C(C2(CNCC3=CC=CN=C3)CCC2)N=C1

0.414

View
O=C1CC(CO)(C2=CC=CC=N2)CN1CN1CCC2(CCCC2)CC1

0.403

View
C#CC1=CC=C(CNCC2(C3=CC=CC=N3)CCC2)C=C1

0.400

View
OC1=CN=C(NCC2(C3=CC=CC=N3)CC2)N=C1

0.393

View
O=C1CC(CO)(C2=CC=CC=N2)CN1CN1CCC2(CCCCC2)CC1

0.391

View
O=C1CC(CO)(C2=CC=CC=N2)CN1CN1CCC2(CCCC2)C1

0.391

View
O=C1CC(CO)(C2=CC=CC=N2)CN1CN1CCCC2(CCCC2)C1

0.391

View
O=C1CC(CO)(C2=CC=CC=N2)CN1CN1CCCCCCCC1

0.391

View
O=C1CC(CO)(C2=CC=CC=N2)CN1CN1CCCCCCC1

0.391

View
OC(=O)C1(CCCC1)c1ccccn1

0.457

View
O[C@@H]1CCC[C@H]1c1ccccn1 |r|

0.300

View
O[C@@H]1CCC[C@@H]1c1ccccn1 |r|

0.300

View
OC1CCCCC1c1ccccn1

0.288

View
CCC(CO)c1ccccn1

0.280

View


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