Molecular Properties | |
SMILES: | C#CCSc1nc2c(cc1C#N)CCCC2 |
MW: | 228.07 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 36.68 |
cLogP: | 2.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8472919855 |
MolPort: | MolPort-001-620-692 |
triple bond
triple_bond
MAR-TRE-14ce9fd6-92
0.827
MAR-TRE-14ce9fd6-79
0.644
MAR-TRE-14ce9fd6-19
0.633
MAR-TRE-1c920f6f-25
0.623
MAR-TRE-14ce9fd6-20
0.623
MAR-TRE-14ce9fd6-81
0.623
MAR-TRE-14ce9fd6-11
0.585
MAR-TRE-14ce9fd6-14
0.559
MAR-TRE-1c920f6f-17
0.559
MAR-TRE-14ce9fd6-22
0.554
MAR-TRE-14ce9fd6-75
0.524
MAR-TRE-14ce9fd6-91
0.517
MAR-TRE-14ce9fd6-12
0.514
MAR-TRE-1c920f6f-38
0.508
MAR-TRE-14ce9fd6-80
0.508
MAR-TRE-14ce9fd6-76
0.508
MAR-TRE-1c920f6f-15
0.500
MAR-TRE-1c920f6f-56
0.500
MAR-TRE-0fda4e82-36
0.494
MAR-TRE-14ce9fd6-42
0.486
MAR-TRE-1c920f6f-11
0.486
MAR-TRE-14ce9fd6-7
0.481
MAR-TRE-14ce9fd6-18
0.471
MAR-TRE-14ce9fd6-46
0.471
MAR-TRE-14ce9fd6-5
0.471
MAR-TRE-14ce9fd6-93
0.456
MAR-TRE-0fda4e82-13
0.446
MAR-TRE-1c920f6f-1
0.444
MAR-TRE-1c920f6f-58
0.439
MAR-TRE-14ce9fd6-6
0.434
MAR-TRE-14ce9fd6-90
0.418
MAR-TRE-14ce9fd6-40
0.412
MAR-TRE-0fda4e82-68
0.410
MAR-TRE-1c920f6f-19
0.410
MAR-TRE-6c5ef77a-27
0.325
MAR-TRE-0fda4e82-46
0.314
MAR-TRE-1c920f6f-68
0.308
MAR-TRE-1c920f6f-16
0.291
MAR-TRE-1c920f6f-13
0.280
MAR-TRE-1c920f6f-85
0.274
MAR-TRE-14ce9fd6-15
0.238
MAR-TRE-14ce9fd6-70
0.231
MAR-TRE-14ce9fd6-21
0.229
MAR-TRE-14ce9fd6-35
0.226
MAR-TRE-6c5ef77a-48
0.224
MAR-TRE-6c5ef77a-31
0.221
MAR-TRE-14ce9fd6-86
0.218
MAR-TRE-6c5ef77a-71
0.217
MAR-TRE-a3327163-24
0.214
MAR-TRE-14ce9fd6-33
0.212
MAR-TRE-a3327163-37
0.211
MAR-TRE-1c920f6f-63
0.211
MAR-TRE-6c5ef77a-8
0.210
MAR-TRE-14ce9fd6-50
0.210
MAR-TRE-1c920f6f-86
0.209
MAR-TRE-1c920f6f-61
0.209
MAR-TRE-14ce9fd6-53
0.207
MAR-TRE-14ce9fd6-65
0.205
MAR-TRE-14ce9fd6-83
0.204
MAR-TRE-a3327163-82
0.200
MAR-TRE-0fda4e82-30
0.200
MAR-TRE-1c920f6f-66
0.200
MAR-TRE-14ce9fd6-4
0.200
MAR-TRE-0fda4e82-6
0.198
MAR-TRE-14ce9fd6-77
0.198
MAR-TRE-a3327163-21
0.198
MAR-TRE-1c920f6f-96
0.196
MAR-TRE-14ce9fd6-23
0.195
MAR-TRE-6c5ef77a-89
0.194
MAR-TRE-0fda4e82-12
0.193
MAR-TRE-14ce9fd6-48
0.193
ABI-SAT-aa268ad7-2
0.192
MAR-TRE-d0525fbf-93
0.191
MAR-TRE-a3327163-41
0.190
MAR-TRE-14ce9fd6-57
0.190
MAR-TRE-1c920f6f-54
0.190
MAR-TRE-a3327163-1
0.189
MAR-TRE-1c920f6f-100
0.189
MAR-TRE-0fda4e82-84
0.189
MAR-TRE-1c920f6f-18
0.188
MAR-TRE-4f781e27-98
0.188
MAR-TRE-fd17a9b8-23
0.187
MAR-TRE-a3327163-71
0.186
MAR-TRE-6c5ef77a-84
0.184
MAR-TRE-0fda4e82-82
0.184
MAR-TRE-1c920f6f-29
0.184
MAR-TRE-1c920f6f-94
0.184
MAR-TRE-1c920f6f-53
0.184
MAR-TRE-0fda4e82-79
0.183
MAR-TRE-1c920f6f-82
0.183
MAR-TRE-1c920f6f-95
0.183
MAR-TRE-1c920f6f-9
0.182
AAR-RCN-9f0de475-1
0.182
MAR-TRE-a3327163-13
0.182
MIK-ENA-5d9157e9-6
0.181
ALP-POS-5fe48310-1
0.181
MIK-ENA-5d9157e9-5
0.181
MAR-TRE-6c5ef77a-68
0.181
MAR-TRE-0fda4e82-31
0.181
MAR-TRE-0fda4e82-63
0.181