Molecular Properties | |
SMILES: | N#Cc1cc2c(nc1SCc1ccncc1)CCC2 |
MW: | 267.08 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 49.57 |
cLogP: | 3.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6629781772 |
MolPort: | MolPort-002-094-806 |
MAR-TRE-14ce9fd6-12
0.823
MAR-TRE-14ce9fd6-90
0.587
MAR-TRE-14ce9fd6-75
0.585
MAR-TRE-14ce9fd6-42
0.581
MAR-TRE-14ce9fd6-92
0.569
MAR-TRE-1c920f6f-38
0.567
MAR-TRE-14ce9fd6-76
0.544
MAR-TRE-14ce9fd6-80
0.544
MAR-TRE-14ce9fd6-40
0.538
MAR-TRE-14ce9fd6-93
0.488
MAR-TRE-14ce9fd6-79
0.486
MAR-TRE-0fda4e82-13
0.481
MAR-TRE-14ce9fd6-20
0.472
MAR-TRE-14ce9fd6-96
0.471
MAR-TRE-14ce9fd6-22
0.459
MAR-TRE-14ce9fd6-19
0.458
MAR-TRE-1c920f6f-25
0.452
MAR-TRE-14ce9fd6-81
0.452
MAR-TRE-1c920f6f-19
0.442
MAR-TRE-0fda4e82-68
0.442
MAR-TRE-14ce9fd6-14
0.430
MAR-TRE-0fda4e82-46
0.429
MAR-TRE-14ce9fd6-11
0.429
MAR-TRE-1c920f6f-17
0.412
MAR-TRE-1c920f6f-15
0.402
MAR-TRE-1c920f6f-56
0.402
MAR-TRE-14ce9fd6-91
0.400
MAR-TRE-1c920f6f-11
0.393
MAR-TRE-1c920f6f-58
0.389
MAR-TRE-14ce9fd6-7
0.378
MAR-TRE-14ce9fd6-46
0.375
MAR-TRE-0fda4e82-36
0.374
MAR-TRE-14ce9fd6-6
0.370
MAR-TRE-1c920f6f-1
0.363
MAR-TRE-14ce9fd6-5
0.354
MAR-TRE-1c920f6f-68
0.329
MAR-TRE-1c920f6f-16
0.298
MAR-TRE-14ce9fd6-65
0.295
MAR-TRE-14ce9fd6-48
0.287
MAR-TRE-6c5ef77a-27
0.286
MAR-TRE-14ce9fd6-50
0.280
MAR-TRE-1c920f6f-13
0.273
MAR-TRE-14ce9fd6-77
0.268
MAR-TRE-1c920f6f-85
0.266
MAR-TRE-14ce9fd6-33
0.264
MAR-TRE-fd17a9b8-23
0.264
MAR-TRE-1c920f6f-14
0.256
MAR-TRE-14ce9fd6-21
0.253
MAR-TRE-14ce9fd6-83
0.253
MAR-TRE-14ce9fd6-35
0.250
MAR-TRE-0fda4e82-23
0.247
MAR-TRE-14ce9fd6-15
0.247
MAR-TRE-14ce9fd6-23
0.247
MAR-TRE-1c920f6f-61
0.245
MAR-TRE-0fda4e82-12
0.244
MAR-TRE-1c920f6f-27
0.244
MAR-TRE-1c920f6f-39
0.244
MAR-TRE-14ce9fd6-70
0.241
MAR-TRE-a3327163-73
0.241
MAR-TRE-14ce9fd6-57
0.230
MAR-TRE-1c920f6f-34
0.228
MAR-TRE-a3327163-67
0.227
MAR-TRE-a3327163-37
0.224
MAR-TRE-6c5ef77a-31
0.217
MAR-TRE-14ce9fd6-52
0.215
MAR-TRE-a3327163-55
0.212
MAR-TRE-14ce9fd6-4
0.212
MAR-TRE-a3327163-24
0.211
MAR-TRE-a3327163-5
0.210
MAR-TRE-0fda4e82-6
0.209
MAR-TRE-0fda4e82-82
0.209
MAR-TRE-a3327163-71
0.208
MAR-TRE-14ce9fd6-29
0.208
MAR-TRE-1c920f6f-86
0.207
MAR-TRE-14ce9fd6-41
0.207
MAR-TRE-1c920f6f-82
0.206
MAR-TRE-1c920f6f-96
0.206
MAR-TRE-6c5ef77a-48
0.205
MAR-TRE-0fda4e82-63
0.204
MAR-TRE-a3327163-31
0.202
MAR-TRE-d0525fbf-93
0.202
VLA-UNK-9a7dc93f-2
0.200
MAR-TRE-14ce9fd6-86
0.200
MAR-TRE-0fda4e82-84
0.200
MAR-TRE-14ce9fd6-55
0.200
MAK-UNK-6ca90168-29
0.200
MAR-TRE-4f781e27-98
0.198
MAR-TRE-14ce9fd6-27
0.198
MAR-TRE-a3327163-82
0.198
MAR-TRE-0fda4e82-47
0.198
MAR-TRE-0fda4e82-30
0.198
MAR-TRE-14ce9fd6-10
0.196
MAR-TRE-1c920f6f-3
0.196
MAR-TRE-1c920f6f-70
0.194
MAR-TRE-14ce9fd6-1
0.194
MAR-TRE-14ce9fd6-9
0.194
MAR-TRE-6c5ef77a-96
0.192
MAR-TRE-1c920f6f-30
0.192
MAR-TRE-6c5ef77a-68
0.192
MAR-TRE-0fda4e82-31
0.192