Molecular Properties | |
SMILES: | Cc1nc(SCc2ccc(C#N)cc2)nc2c1CCCC2 |
MW: | 295.11 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 49.57 |
cLogP: | 3.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8199302230 |
MolPort: | MolPort-002-307-153 |
MAR-TRE-14ce9fd6-21
0.493
MAR-TRE-14ce9fd6-33
0.447
MAR-TRE-14ce9fd6-41
0.423
MAR-TRE-14ce9fd6-29
0.409
MAR-TRE-14ce9fd6-52
0.371
MAR-TRE-14ce9fd6-55
0.371
MAR-TRE-14ce9fd6-47
0.358
MAR-TRE-f5c2d31c-71
0.351
MAR-TRE-14ce9fd6-44
0.338
MAR-TRE-14ce9fd6-13
0.337
MAR-TRE-14ce9fd6-73
0.329
MAR-TRE-14ce9fd6-38
0.325
MAR-TRE-14ce9fd6-84
0.316
MAR-TRE-14ce9fd6-9
0.306
MAR-TRE-14ce9fd6-62
0.304
MAR-TRE-14ce9fd6-34
0.293
MAR-TRE-1c920f6f-27
0.289
MAR-TRE-1c920f6f-31
0.289
MAR-TRE-1c920f6f-39
0.289
MAR-TRE-1c920f6f-43
0.286
MAR-TRE-14ce9fd6-8
0.273
MAR-TRE-14ce9fd6-12
0.270
MAR-TRE-1c920f6f-97
0.267
MAR-TRE-14ce9fd6-50
0.265
MAR-TRE-14ce9fd6-65
0.263
MAR-TRE-14ce9fd6-77
0.253
MAR-TRE-14ce9fd6-18
0.250
MAR-TRE-0fda4e82-77
0.247
MAR-TRE-14ce9fd6-20
0.247
MAR-TRE-14ce9fd6-81
0.247
MAR-TRE-14ce9fd6-93
0.245
MAR-TRE-14ce9fd6-42
0.245
MAR-TRE-14ce9fd6-22
0.241
MAK-UNK-be3f299e-6
0.241
MAR-TRE-1c920f6f-56
0.237
MAR-TRE-14ce9fd6-19
0.235
MAT-POS-b5746674-117
0.233
MAR-TRE-0fda4e82-23
0.233
MAR-TRE-14ce9fd6-23
0.233
MAR-TRE-1c920f6f-25
0.233
MAR-TRE-14ce9fd6-10
0.231
MAR-TRE-14ce9fd6-48
0.231
MAR-TRE-14ce9fd6-57
0.230
MAR-TRE-1c920f6f-17
0.228
MAR-TRE-0fda4e82-62
0.228
MAR-TRE-14ce9fd6-90
0.227
MAR-TRE-14ce9fd6-96
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MAR-TRE-14ce9fd6-91
0.225
MAR-TRE-1c920f6f-66
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MAR-TRE-a3327163-37
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MAR-TRE-14ce9fd6-79
0.224
MAR-TRE-1c920f6f-15
0.223
MAR-TRE-14ce9fd6-11
0.222
MAR-TRE-a3327163-43
0.222
MAR-TRE-14ce9fd6-76
0.221
MAR-TRE-1c920f6f-38
0.221
MAR-TRE-14ce9fd6-80
0.221
RAL-THA-2d450e86-5
0.220
MAR-TRE-f5c2d31c-73
0.218
MAR-TRE-6c5ef77a-31
0.217
MAR-TRE-14ce9fd6-14
0.215
MAR-TRE-14ce9fd6-58
0.215
NEL-UNI-1464a899-8
0.214
MAR-TRE-1c920f6f-14
0.213
MAR-TRE-2fd8122f-69
0.213
MAK-UNK-f983951f-23
0.213
NIC-BIO-a68395b7-2
0.211
MAR-TRE-1c920f6f-16
0.211
MAR-TRE-a3327163-24
0.211
DRR-IMP-38dce17f-7
0.210
MAK-UNK-6ca90168-14
0.210
MAR-TRE-1c920f6f-4
0.210
MAR-TRE-a3327163-32
0.209
MAR-TRE-14ce9fd6-25
0.208
MAR-TRE-0fda4e82-43
0.208
MAR-TRE-14ce9fd6-15
0.207
MAR-TRE-1c920f6f-11
0.206
NEL-UNI-1464a899-3
0.205
MAR-TRE-6c5ef77a-48
0.205
MAR-TRE-0fda4e82-81
0.205
MAR-TRE-0fda4e82-12
0.204
MAR-TRE-1c920f6f-1
0.204
MAR-TRE-0fda4e82-56
0.202
MAR-TRE-1c920f6f-91
0.202
MAR-TRE-14ce9fd6-5
0.202
MAR-TRE-1c920f6f-41
0.202
MAR-TRE-1c920f6f-12
0.202
AAR-POS-d2a4d1df-21
0.200
MAR-TRE-0fda4e82-46
0.200
MAR-TRE-14ce9fd6-86
0.200
MAR-TRE-14ce9fd6-92
0.200
LON-WEI-5e7d1b3e-32
0.200
LON-WEI-4d77710c-32
0.200
MAR-TRE-0fda4e82-61
0.198
MAR-TRE-14ce9fd6-16
0.198
MAR-TRE-a3327163-90
0.198
MAR-TRE-14ce9fd6-54
0.198
MAR-TRE-14ce9fd6-75
0.198
MAK-UNK-9955b1f3-1
0.197
MAK-UNK-516d8086-31
0.196