Molecule Details

MAK-UNK-be3f299e-8 View Submission
N#CC12CC3CC(CC(C3)C1)C2
Molecular Properties
SMILES:
N#CC12CC3CC(CC(C3)C1)C2
MW: 161.12
Fraction sp3: 0.91
HBA: 1
HBD: 0
Rotatable Bonds: 0
TPSA: 23.79
cLogP: 2.73
Covalent Warhead: ✗
Covalent Fragment: ✗
Source
Enamine BB: EN300-05983
Enamine SCR: Z56762557
Mcule: MCULE-7648406643
MolPort: MolPort-000-145-555

adamantyl

CCNc1ccc(C#N)cn1

AAR-POS-d2a4d1df-5

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N#CC12CC1C2

MAK-UNK-95198336-2
0.409

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N#CC1(O)CC2CCC1C2

MAK-UNK-be3f299e-11
0.303

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N#CC1CC1O

MAK-UNK-9b4e5ff2-4
0.231

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N#CC1C2CC12

MAK-UNK-9b4e5ff2-3
0.231

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CNC1CC1C#N

MAK-UNK-9b4e5ff2-5
0.226

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CC1CC1C#N

MAK-UNK-9b4e5ff2-1
0.222

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N#CC1CC1F

ABI-SAT-3cb25904-6
0.222

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N#CC1CC1C(O)(F)F

ABI-SAT-128a7dc3-8
0.212

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CC1CC(C#N)C1

ABI-SAT-128a7dc3-1
0.207

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O=C(CCl)NC12CC3CC(CC(C3)C1)C2

MAK-UNK-f983951f-1
0.200

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CS(=O)(=O)C1CC(C#N)C1

MAK-UNK-95198336-12
0.200

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N#CC1CC1

MAK-UNK-95198336-1
0.200

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CC(Cl)C(=O)NC12CC3CC(CC(C3)C1)C2

MAK-UNK-f983951f-3
0.195

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CSC1CC1C#N

ASH-UNK-e28bb067-7
0.188

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COC1CC1C#N

ASH-UNK-e28bb067-6
0.188

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N#CC1CCC1

MAK-UNK-9b4e5ff2-6
0.185

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N#C[C@@H](N)C1CCOCC1

MAK-UNK-be3f299e-3
0.184

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N#CC(N)C1CCOC1

MAK-UNK-be3f299e-10
0.179

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N#CC1CNC1

MAK-UNK-9b4e5ff2-8
0.179

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N#CC1OCO1

MAK-UNK-9b4e5ff2-11
0.179

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CS(=O)(=O)C1CC1C#N

MAK-UNK-95198336-13
0.176

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O=C(CCl)NC(=O)NC12CC3CC(CC(C3)C1)C2

MAK-UNK-f983951f-2
0.174

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N#CC1CNO1

MAK-UNK-9b4e5ff2-9
0.172

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N#CC1C=CC=CS1

SAD-SAT-edc8a235-4
0.171

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CC(Cl)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2

MAK-UNK-f983951f-4
0.170

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N#CC1C=NC1

MAK-UNK-9b4e5ff2-7
0.167

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N#CC(F)C1CC1

ABI-SAT-128a7dc3-4
0.161

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CC1(C)CC(=O)C(CCC#N)C(=O)C1

MAR-TRE-14ce9fd6-98
0.159

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N#CC1CC(C(F)(F)F)C1O

ABI-SAT-2adc218e-10
0.158

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N#CN1CCN(C2(N3CCCOCC3)CC2)CC1

JOH-UNI-27ac80fd-15
0.154

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N#CC1=NCC1F

ABI-SAT-95eab675-3
0.152

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N#CCC1CCS(=O)(=O)C1

MAR-TRE-14ce9fd6-99
0.150

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CC1C(C)C1C#N

MAK-UNK-9b4e5ff2-2
0.148

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CS(=O)(=O)C1=C(C#N)C1

MAK-UNK-95198336-17
0.143

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N#CC1(NC(=O)CCl)CCC1

MAK-UNK-f983951f-17
0.143

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N#CC1ONO1

MAK-UNK-9b4e5ff2-10
0.138

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N#CCl

MAK-UNK-4b073b5c-9
0.136

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CS(=O)(=O)CC1CCC(C#N)C1

ABI-SAT-3cb25904-2
0.136

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CC#N

MAK-UNK-4b073b5c-7
0.136

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N#CC1CNC(=O)C1

SAD-SAT-edc8a235-2
0.135

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N#CC1=NCC1

ABI-SAT-95eab675-4
0.133

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CC1C(O)C1C#N

ASH-UNK-e28bb067-1
0.133

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CC1C(N)C1C#N

ABI-SAT-95eab675-5
0.133

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Cc1ccncc1NC(=O)[C@H]1C[C@](O)(C#N)C1

MAT-POS-590ac91e-26
0.133

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N#CC1(NC(=O)CCl)CCCCC1

MAK-UNK-f983951f-14
0.130

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N#CC1(NC(=O)CCl)CCCCCC1

MAK-UNK-f983951f-15
0.130

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N#Cc1cs[nH]1

ABI-SAT-f7794817-1
0.129

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N#CC1CN(C(=O)CCl)CO1

SAD-SAT-6b5a89f0-4
0.128

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N#CC1CN(C(=O)CCl)CS1

SAD-SAT-6b5a89f0-5
0.128

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CCC(=O)N1COC(C#N)C1

SAD-SAT-6b5a89f0-7
0.128

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N#CCC1(O)CCOCC1

MAK-UNK-be3f299e-9
0.125

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N#CCC(=O)NC1CC1

SAD-SAT-edc8a235-5
0.125

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CC(C)(C#N)N1CCOCC1

MAK-UNK-be3f299e-7
0.125

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CC(Cl)C(=O)NC1(C#N)CCCCC1

MAK-UNK-f983951f-8
0.125

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CS(=O)(=O)C1CCC(CF)C(C#N)C1

ABI-SAT-ddc50085-3
0.122

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N#CC1CCCC(F)CC1

ABI-SAT-128a7dc3-10
0.122

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N#CC(C(F)(F)F)S(=O)(=O)C1CC1

ABI-SAT-e641dd33-5
0.122

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CC1CCCC(C#N)CC1

ABI-SAT-95eab675-6
0.122

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N#CC1=C(CO)S1

ABI-SAT-f7794817-2
0.121

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Cc1[nH]sc1C#N

ABI-SAT-27442b71-1
0.121

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c1cnc2nc(SCCC34CC5CC(CC(C5)C3)C4)nn2c1

AUS-ARG-7cfdce8f-18
0.121

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N#CCF

ABI-SAT-2adc218e-7
0.120

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C1CC23CC2CC2C4C5CC6C7C8CC9CC9(C1)C1C3C(C1C867)C254

FAY-UNK-1ba33a02-1
0.120

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N#CC1CN(C(=O)CCl)C1

MAK-UNK-95198336-9
0.119

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N#CC1CCC(O)CC1=O

ABI-SAT-2adc218e-3
0.119

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N#Cc1cccc(C23CC(c4ccccc42)N(C(=O)CCl)C3)c1

MAK-UNK-ec98eaf6-40
0.118

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N#CCC1C(O)C1F

ABI-SAT-2adc218e-8
0.118

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N#CC1=NNC1O

ABI-SAT-95eab675-2
0.118

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CC(C)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccoc1

NJA-MAN-b8640440-4
0.118

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Cn1cc(C#N)s1

ABI-SAT-95eab675-1
0.118

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N#Cc1ccc2c(n1)C(C(F)(F)F)N2

ABI-SAT-aa268ad7-6
0.118

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C=S(=C)(c1ccsc1)N1CCN2C(=O)c3ccncc3NC2C1

MAK-UNK-bdda130a-6
0.117

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CS(=O)(=O)C1=C(Cl)CC(C#N)C1

ABI-SAT-128a7dc3-7
0.116

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N#CCC1C=CC=C1

AHN-ATE-25a8153f-1
0.114

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N#CC1C(F)C1CN

ABI-SAT-128a7dc3-5
0.114

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CC1C(C#N)C1C(F)(F)F

ABI-SAT-3cb25904-4
0.114

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CC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(c1ccccc1)N1CCN(C)CC1

NJA-MAN-b9fb953f-8
0.114

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N#CC1C2C1C2C(F)(F)F

ABI-SAT-2adc218e-4
0.114

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N#CC1C(F)C1CO

ABI-SAT-f7794817-4
0.114

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N#CC1CCN(C(=O)CCl)CC1

MAK-UNK-6c8f5f75-1
0.114

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N#CC1CN(C(=O)CCl)O1

MAK-UNK-95198336-10
0.114

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N#CCSc1nc2ccccc2s1

MAR-TRE-1c920f6f-99
0.113

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N#CC1CCCC(c2nc3ccccc3s2)C1

JOO-IND-68bcc4bc-1
0.113

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O=C(NC12CC3CC(C1)CC(C(=O)O)(C3)C2)c1cncnc1

MAR-TRE-9d18ae8c-31
0.113

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CCCC1CCc2c(sc(NC(=O)CCC(=O)O)c2C#N)C1

MAR-TRE-14ce9fd6-82
0.113

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N#CC1C(O)C1C(N)=O

ABI-SAT-2adc218e-9
0.111

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N#CN1CCN(C2(c3ccc(Br)s3)CC2)CC1

JOH-UNI-27ac80fd-37
0.111

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COc1ccc(OCCC#N)cc1

MAR-TRE-6c5ef77a-65
0.111

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CC(C)(C#CCN1CCCC1)OCCC#N

MAR-TRE-6c5ef77a-88
0.111

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N#Cc1nncs1

MAK-UNK-987948f6-14
0.111

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CC(F)C#N

ABI-SAT-128a7dc3-3
0.111

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Cc1nnc(C#N)s1

ABI-SAT-aa268ad7-11
0.111

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COc1cc(C2(C#N)CCCC2)ccc1O

MAR-TRE-14ce9fd6-32
0.111

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N#CC1CN(C(=O)CCl)C1O

ASH-UNK-e28bb067-9
0.111

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CC12CCC(CC1)C(C)(C)O2

BET-COM-8a5969bb-1
0.111

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CC1C(C#N)C1S(C)(=O)=O

ABI-SAT-3cb25904-5
0.111

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CC12CCC(CC1)C(C)(C)O2

MAK-UNK-0cb6a3ad-3
0.111

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CC1CC(=O)C(C)(CCC#N)CN1C

MAR-TRE-0fda4e82-51
0.111

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CC(C)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc2c(c1)OCO2

NJA-MAN-b9fb953f-2
0.110

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N#Cc1cc(Cl)cc(C(=O)NC2CCS(=O)(=O)C2)c1

ABI-SAT-4d06482b-4
0.109

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Discussion:

Contributor: Maksym Voznyy - Sat, 23 May 2020 13:48:14 +0000