Molecular Properties | |
SMILES: | CCOc1ccc(NC(=O)CSc2ncccc2C#N)cc1 |
MW: | 313.09 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 75.01 |
cLogP: | 3.08 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6699142365 |
MolPort: | MolPort-002-314-966 |
MAR-TRE-6c5ef77a-58
0.812
MAR-TRE-6c5ef77a-67
0.791
MAR-TRE-0fda4e82-72
0.736
MAR-TRE-1c920f6f-47
0.706
MAR-TRE-0fda4e82-76
0.704
MAR-TRE-6c5ef77a-66
0.696
MAR-TRE-1c920f6f-42
0.676
MAR-TRE-14ce9fd6-27
0.635
MAR-TRE-6c5ef77a-46
0.600
MAR-TRE-14ce9fd6-43
0.600
MAR-TRE-1c920f6f-26
0.597
MAR-TRE-1c920f6f-30
0.590
MAR-TRE-14ce9fd6-37
0.590
MAR-TRE-1c920f6f-44
0.571
MAR-TRE-0fda4e82-47
0.571
MAR-TRE-6c5ef77a-51
0.570
MAR-TRE-0fda4e82-29
0.570
MAR-TRE-1c920f6f-3
0.547
MAR-TRE-6c5ef77a-26
0.545
MAR-TRE-6c5ef77a-33
0.544
MAR-TRE-0fda4e82-89
0.544
MAR-TRE-6c5ef77a-55
0.541
MAR-TRE-a3327163-15
0.539
MAR-TRE-6c5ef77a-20
0.538
MAR-TRE-6c5ef77a-14
0.532
MAR-TRE-1c920f6f-74
0.526
MAR-TRE-0fda4e82-90
0.519
MAR-TRE-6c5ef77a-96
0.512
MAR-TRE-1c920f6f-49
0.494
MAR-TRE-6c5ef77a-12
0.488
MAR-TRE-14ce9fd6-1
0.481
MAR-TRE-1c920f6f-10
0.456
MAR-TRE-a3327163-82
0.440
MAR-TRE-a3327163-71
0.438
MAR-TRE-6c5ef77a-35
0.432
MAR-TRE-6c5ef77a-93
0.427
MAR-TRE-a3327163-88
0.412
MAR-TRE-1c920f6f-75
0.400
MAR-TRE-1c920f6f-82
0.398
MAR-TRE-a3327163-40
0.382
MAR-TRE-a3327163-42
0.378
MAR-TRE-6c5ef77a-16
0.374
MAR-TRE-1c920f6f-97
0.369
MAR-TRE-a3327163-43
0.365
MAR-TRE-1c920f6f-100
0.364
MAR-TRE-0fda4e82-31
0.363
MAR-TRE-a3327163-53
0.361
MAR-TRE-1c920f6f-20
0.360
MAR-TRE-0fda4e82-11
0.354
MAR-TRE-6c5ef77a-74
0.352
MAR-TRE-0fda4e82-97
0.352
MAR-TRE-0fda4e82-81
0.349
MAR-TRE-0fda4e82-56
0.345
MAR-TRE-14ce9fd6-59
0.342
MAR-TRE-1c920f6f-95
0.337
MAR-TRE-6c5ef77a-32
0.337
MAR-TRE-a3327163-32
0.333
MAR-TRE-0fda4e82-14
0.333
MAR-TRE-1c920f6f-65
0.330
MAR-TRE-1c920f6f-19
0.327
MAR-TRE-14ce9fd6-7
0.327
MAR-TRE-f5c2d31c-76
0.326
MAR-TRE-14ce9fd6-78
0.325
MAR-TRE-6c5ef77a-92
0.323
MAR-TRE-0fda4e82-96
0.323
MAR-TRE-6c5ef77a-40
0.322
MAR-TRE-14ce9fd6-6
0.320
MAR-TRE-0fda4e82-63
0.319
IND-SYN-6c8299e8-11
0.318
IND-SYN-64980207-1
0.318
MAR-TRE-d0525fbf-93
0.316
MAR-TRE-a3327163-48
0.312
MAR-TRE-14ce9fd6-68
0.312
MAR-TRE-f5c2d31c-10
0.310
MAR-TRE-0fda4e82-59
0.309
MAR-TRE-a3327163-54
0.308
MAR-TRE-a3327163-35
0.307
MAR-TRE-a3327163-61
0.303
MAR-TRE-6c5ef77a-47
0.302
MAR-TRE-f5c2d31c-6
0.302
MAR-TRE-14ce9fd6-61
0.299
MAR-TRE-a3327163-20
0.297
MAR-TRE-a3327163-5
0.296
MAR-TRE-3e4e6814-98
0.292
MAR-TRE-a3327163-24
0.289
MAR-TRE-6c5ef77a-17
0.287
MAR-TRE-0fda4e82-94
0.283
MAR-TRE-6c5ef77a-37
0.283
MAR-TRE-7f7bb9f0-90
0.281
MAR-TRE-0fda4e82-38
0.280
MAR-TRE-a3327163-34
0.278
MAR-TRE-6c5ef77a-68
0.278
MAR-TRE-a3327163-50
0.278
AAR-POS-0daf6b7e-33
0.276
MAR-TRE-6c5ef77a-45
0.276
MAR-TRE-0fda4e82-6
0.275
MAR-TRE-fd17a9b8-23
0.274
MAR-TRE-a9136c7b-43
0.273
MAR-TRE-a3327163-29
0.272
MAR-TRE-f5c2d31c-44
0.270