Molecular Properties | |
SMILES: | CSc1cccc(NC(=O)CSc2ncccc2C#N)c1 |
MW: | 315.05 |
Fraction sp3: | 0.13 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 65.78 |
cLogP: | 3.41 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4645996911 |
MolPort: | MolPort-002-313-243 |
MAR-TRE-14ce9fd6-43
0.718
MAR-TRE-0fda4e82-47
0.708
MAR-TRE-1c920f6f-44
0.685
MAR-TRE-1c920f6f-30
0.658
MAR-TRE-1c920f6f-42
0.657
MAR-TRE-14ce9fd6-27
0.640
MAR-TRE-6c5ef77a-46
0.627
MAR-TRE-1c920f6f-26
0.623
MAR-TRE-6c5ef77a-51
0.615
MAR-TRE-6c5ef77a-66
0.608
MAR-TRE-6c5ef77a-67
0.605
MAR-TRE-0fda4e82-29
0.595
MAR-TRE-1c920f6f-47
0.595
MAR-TRE-6c5ef77a-64
0.590
MAR-TRE-6c5ef77a-58
0.588
MAR-TRE-6c5ef77a-55
0.583
MAR-TRE-0fda4e82-76
0.577
MAR-TRE-0fda4e82-72
0.549
MAR-TRE-6c5ef77a-20
0.544
MAR-TRE-0fda4e82-90
0.543
MAR-TRE-6c5ef77a-96
0.537
MAR-TRE-1c920f6f-3
0.532
MAR-TRE-6c5ef77a-26
0.532
MAR-TRE-1c920f6f-74
0.532
MAR-TRE-0fda4e82-89
0.531
MAR-TRE-a3327163-15
0.526
MAR-TRE-6c5ef77a-14
0.519
MAR-TRE-1c920f6f-49
0.518
MAR-TRE-6c5ef77a-33
0.512
MAR-TRE-14ce9fd6-1
0.469
MAR-TRE-6c5ef77a-93
0.451
MAR-TRE-1c920f6f-10
0.427
MAR-TRE-3159af1a-59
0.402
MAR-TRE-f5c2d31c-6
0.396
MAR-TRE-6c5ef77a-47
0.396
MAR-TRE-6c5ef77a-17
0.375
MAR-TRE-1c920f6f-82
0.374
MAR-TRE-0fda4e82-59
0.358
MAR-TRE-a3327163-82
0.337
MAR-TRE-d0525fbf-93
0.337
MAR-TRE-6c5ef77a-74
0.330
MAR-TRE-6c5ef77a-40
0.330
MAR-TRE-a3327163-71
0.327
MAR-TRE-0fda4e82-31
0.326
MAR-TRE-0fda4e82-63
0.326
MAR-TRE-6c5ef77a-45
0.323
MAR-TRE-1c920f6f-20
0.323
MAR-TRE-6c5ef77a-24
0.317
MAR-TRE-0fda4e82-94
0.316
MAR-TRE-f5c2d31c-83
0.314
MAR-TRE-a3327163-88
0.312
MAR-TRE-1c920f6f-100
0.312
MAR-TRE-1c920f6f-75
0.310
DAR-DIA-23aa0b97-18
0.309
MAR-TRE-a3327163-20
0.304
MAR-TRE-6c5ef77a-32
0.303
MAR-TRE-6c5ef77a-92
0.302
MAR-TRE-f5c2d31c-33
0.302
MAR-TRE-6c5ef77a-12
0.300
MAR-TRE-a3327163-24
0.299
MAR-TRE-0fda4e82-84
0.298
MAR-TRE-f5c2d31c-97
0.297
MAR-TRE-a3327163-43
0.297
MAR-TRE-a3327163-61
0.297
MAR-TRE-a3327163-32
0.297
MAR-TRE-6c5ef77a-16
0.296
MAR-TRE-fd17a9b8-12
0.296
IND-SYN-6c8299e8-11
0.295
IND-SYN-64980207-1
0.295
DAR-DIA-23aa0b97-4
0.295
MAR-TRE-6c5ef77a-35
0.293
MAR-TRE-a3327163-42
0.292
MAR-TRE-14ce9fd6-61
0.291
MAR-TRE-0fda4e82-96
0.289
MAR-TRE-0fda4e82-100
0.289
MAR-TRE-1c920f6f-95
0.289
DAR-DIA-23aa0b97-1
0.289
MAR-TRE-6c5ef77a-68
0.286
MAR-TRE-a3327163-35
0.286
MAR-TRE-1c920f6f-19
0.282
MAR-TRE-14ce9fd6-7
0.282
MAR-TRE-1c920f6f-65
0.281
MAR-TRE-fd17a9b8-23
0.281
MAR-TRE-a3327163-29
0.280
MAR-TRE-a3327163-37
0.278
MAR-TRE-a3327163-53
0.278
MAR-TRE-2fd8122f-46
0.277
MAR-TRE-14ce9fd6-6
0.276
MAR-TRE-a3327163-18
0.275
BEN-VAN-ed886787-11
0.274
GIA-UNK-3f36037a-7
0.273
MAR-TRE-a3327163-50
0.272
MAR-TRE-2fd8122f-68
0.271
MAR-TRE-0fda4e82-60
0.267
MAR-TRE-0fda4e82-14
0.267
MAR-TRE-0fda4e82-81
0.267
MAR-TRE-a9136c7b-43
0.267
MAR-TRE-3159af1a-85
0.267
MAR-TRE-f5c2d31c-15
0.265
MAR-TRE-6c5ef77a-29
0.265