Molecule Details

ABI-SAT-3cb25904-3 View Submission
N#CCC(F)(F)F
Molecular Properties
SMILES:
N#CCC(F)(F)F
MW: 109.01
Fraction sp3: 0.67
HBA: 1
HBD: 0
Rotatable Bonds: 0
TPSA: 23.79
cLogP: 1.46
Covalent Warhead: ✗
Covalent Fragment: ✗
Source
Enamine BB: EN300-49323
Mcule: MCULE-7791314796
MolPort: MolPort-001-775-897

CCC(=N)N

AAR-POS-d2a4d1df-17

View

N#CCC(O)(F)F

ABI-SAT-128a7dc3-2
0.556

View
N#CCF

ABI-SAT-2adc218e-7
0.375

View
N#CC1C2C1C2C(F)(F)F

ABI-SAT-2adc218e-4
0.269

View
CS(=O)(=O)C(C#N)C(F)(F)F

ABI-SAT-e641dd33-3
0.231

View
N#CCC1C(O)C1F

ABI-SAT-2adc218e-8
0.231

View
N#CC1C(F)C1CO

ABI-SAT-f7794817-4
0.222

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

ABI-SAT-3cb25904-4
0.222

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

ABI-SAT-e641dd33-2
0.222

View
N#CCC(N)=O

MAK-UNK-4b073b5c-24
0.217

View
N#CCS(N)(=O)=O

SAD-SAT-edc8a235-9
0.217

View
CS(=O)(=O)CC#N

MAK-UNK-95198336-15
0.217

View
CC(N)CC#N

ABI-SAT-3cb25904-1
0.217

View
N#CC1CC1C(O)(F)F

ABI-SAT-128a7dc3-8
0.214

View
CC(F)C#N

ABI-SAT-128a7dc3-3
0.200

View
CS(=O)(=O)CCC#N

MAK-UNK-95198336-14
0.192

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

ABI-SAT-2adc218e-10
0.188

View
N#CCl

MAK-UNK-4b073b5c-9
0.188

View
CC#N

MAK-UNK-4b073b5c-7
0.188

View
N#CC1C(F)C1CN

ABI-SAT-128a7dc3-5
0.179

View
N#CCC1C=CC=C1

AHN-ATE-25a8153f-1
0.179

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

ABI-SAT-e641dd33-5
0.176

View
N#CC1C=NN=S1C(F)(F)F

ABI-SAT-2adc218e-1
0.176

View
N#CC1CNC1

MAK-UNK-9b4e5ff2-8
0.174

View
N#CC1CC1F

ABI-SAT-3cb25904-6
0.174

View
N#CCCn1c(=O)n(CCC#N)c(=O)n(CCC#N)c1=O

MAR-TRE-6c5ef77a-6
0.172

View
N#Cc1c(Cl)c1=O

ABI-SAT-f7794817-3
0.167

View
F[U]C[K]

YES-UNK-ce40b8c9-2
0.158

View
CN(C)c1nc(SCC#N)nc(N(C)C)n1

MAR-TRE-6c5ef77a-91
0.158

View
N#Cc1c[nH]c2ccc(C(F)(F)F)cc12

ABI-SAT-aa268ad7-1
0.156

View
CC(C)(C#N)OCc1ccccc1

MAK-UNK-be3f299e-2
0.154

View
N#CC(F)C(N)=O

ASH-UNK-e28bb067-2
0.154

View
N#CC(F)C1CC1

ABI-SAT-128a7dc3-4
0.154

View
N#CC1=C(CO)S1

ABI-SAT-f7794817-2
0.148

View
N#Cc1ncccn1

AAR-POS-f650c5f2-3
0.148

View
N#CCn1ccn(CC#N)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-72
0.147

View
N#CCC1(O)CCOCC1

MAK-UNK-be3f299e-9
0.147

View
N#CCC(=O)NC1CC1

SAD-SAT-edc8a235-5
0.147

View
N#CC1CCCC(C(F)(F)F)C(O)CC1

ABI-SAT-128a7dc3-9
0.146

View
N#CC1CC1

MAK-UNK-95198336-1
0.143

View
N#CCC(C(C#N)C#N)n1ccn(C(CC#N)C(C#N)C#N)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-30
0.143

View
N#CC1CCCC(F)CC1

ABI-SAT-128a7dc3-10
0.143

View
Cc1nc(C)c(CC#N)s1

MAR-TRE-6c5ef77a-97
0.143

View
CC(=O)Nc1ccc(NCCC#N)cc1

MAR-TRE-6c5ef77a-62
0.143

View
N#CC1=NCC1F

ABI-SAT-95eab675-3
0.143

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

MAR-TRE-14ce9fd6-99
0.143

View
CC(C)(C)c1cc(CCCC#N)cc(C(C)(C)C)c1O

MAR-TRE-14ce9fd6-74
0.140

View
N#CC(C(F)(F)F)S(=O)(=O)C1CN=CN1

ABI-SAT-e641dd33-4
0.140

View
N#CC12CC1C2

MAK-UNK-95198336-2
0.136

View
CC1C(C)C1C#N

MAK-UNK-9b4e5ff2-2
0.136

View
N#Cc1c[nH]c2c(O)cc(F)cc12

ABI-SAT-30e287c1-3
0.136

View
CS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)n1

ABI-SAT-ddc50085-4
0.136

View
N#CCC(=O)c1ccc(N)cc1

MAR-TRE-1c920f6f-89
0.135

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

MAK-UNK-95198336-13
0.133

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

ABI-SAT-aa268ad7-6
0.133

View
N#CCCNCCN1CCCC1=O

MAR-TRE-6c5ef77a-63
0.133

View
N#CCC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-18
0.132

View
Cc1nnc(SCC#N)s1

MAR-TRE-6c5ef77a-78
0.132

View
Cc1nc(N(CCC#N)CCC#N)sc1C(C)(C)C

MAR-TRE-0fda4e82-28
0.130

View
N#CC1CC1O

MAK-UNK-9b4e5ff2-4
0.130

View
N#CC1CCC1

MAK-UNK-9b4e5ff2-6
0.130

View
N#Cc1c[nH]c2ccc(CF)cc12

ABI-SAT-aa268ad7-2
0.130

View
N#CC1C2CC12

MAK-UNK-9b4e5ff2-3
0.130

View
N#Cc1ncc(F)cn1

AAR-RCN-ec065b93-1
0.129

View
N#CC1C=CC=CS1

SAD-SAT-edc8a235-4
0.129

View
N#Cc1ncc(F)s1

ABI-SAT-aa268ad7-10
0.129

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

ASH-UNK-e28bb067-9
0.128

View
N#CCC(=S)n1ccn(C(=S)CC#N)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-49
0.128

View
Cn1nnnc1SCC#N

MAR-TRE-6c5ef77a-90
0.128

View
N#CCC(=O)n1ccn(C(=O)CC#N)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-81
0.128

View
CC(C)c1nc(CC#N)n[nH]1

MAR-TRE-6c5ef77a-52
0.128

View
COc1ccc(OCCC#N)cc1

MAR-TRE-6c5ef77a-65
0.128

View
N#CCCn1c(=O)n(CCC#N)c2ccccc21

MAR-TRE-a3327163-52
0.128

View
N#CN1CCN(C(F)(F)c2ccc(Br)s2)CC1

JOH-UNI-27ac80fd-36
0.128

View
CC1CC1C#N

MAK-UNK-9b4e5ff2-1
0.125

View
C/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1

JOH-UNI-c7afdb96-16
0.125

View
N#CCSCC(=O)Nc1ccc(F)cc1

MAR-TRE-a3327163-54
0.125

View
N#Cc1nc1=O

MAK-UNK-4b073b5c-6
0.125

View
N#CCS(=O)(=O)C1CN=CN1

ABI-SAT-37d087dc-1
0.125

View
N#CC1OCO1

MAK-UNK-9b4e5ff2-11
0.125

View
NC1CC1C(F)(F)F

ABI-SAT-2adc218e-2
0.125

View
N#CC1ONO1

MAK-UNK-9b4e5ff2-10
0.125

View
N#CN1CCN(C(F)(F)N2CCCOCC2)CC1

JOH-UNI-27ac80fd-16
0.125

View
CC(=O)/C(C#N)=C(\O)Nc1ccc(C(F)(F)F)cc1

LON-WEI-1908424e-12
0.125

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

MAR-TRE-6c5ef77a-88
0.125

View
Cc1cc(C)c(C#N)c(SCc2ccc(C(=O)O)cc2)n1

MAR-TRE-14ce9fd6-50
0.125

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

MAR-TRE-14ce9fd6-98
0.125

View
N#CCCS(=O)(=O)c1ccc(Cl)cc1

MAR-TRE-1c920f6f-72
0.122

View
N#CCCS(=O)(=O)c1ccc(N)cc1

MAR-TRE-0fda4e82-50
0.122

View
N#CC1CCN(C(=O)CCl)C1

SAD-SAT-edc8a235-7
0.122

View
N#CCCS(=O)(=O)c1ccc(Br)cc1

MAR-TRE-1c920f6f-80
0.122

View
N#CC1CNO1

MAK-UNK-9b4e5ff2-9
0.120

View
CC1C(O)C1C#N

ASH-UNK-e28bb067-1
0.120

View
N#CCCN(CCC#N)c1nc2c(s1)CCCC2

MAR-TRE-1c920f6f-9
0.120

View
CC1C(N)C1C#N

ABI-SAT-95eab675-5
0.120

View
N#CC1=NCC1

ABI-SAT-95eab675-4
0.120

View
CC(C)(C)C1=C(O)C(CC#N)=C(N2CCC(O)CC2)C1OC(C)(F)C(N)=O

JON-UIO-f971c856-3
0.119

View
N#CCNS(=O)(=O)c1ccc(Cl)cc1

MAR-TRE-1c920f6f-71
0.119

View
Cn1c(=O)c2c(nc(SCC#N)n2C)n(C)c1=O

MAR-TRE-6c5ef77a-30
0.118

View
CN(C)c1nc(NC(C)(C)C)nc(SCC#N)n1

MAR-TRE-6c5ef77a-59
0.118

View
CC(=O)Nc1ccc(S(=O)(=O)N(C)CCC#N)cc1

MAR-TRE-a3327163-57
0.118

View

Discussion:

Contributor: Abintha, SATEC - Mon, 25 May 2020 20:31:10 +0000