Molecular Properties | |
SMILES: | Cc1nnc(NC(=O)CSc2ncccc2C#N)s1 |
MW: | 291.02 |
Fraction sp3: | 0.18 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 91.56 |
cLogP: | 1.84 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6604766115 |
MolPort: | MolPort-000-856-962 |
MAR-TRE-6c5ef77a-33
0.725
MAR-TRE-6c5ef77a-20
0.696
MAR-TRE-6c5ef77a-14
0.662
MAR-TRE-a3327163-15
0.652
MAR-TRE-1c920f6f-42
0.586
MAR-TRE-6c5ef77a-66
0.583
MAR-TRE-14ce9fd6-43
0.581
MAR-TRE-14ce9fd6-27
0.573
MAR-TRE-1c920f6f-30
0.571
MAR-TRE-1c920f6f-47
0.569
MAR-TRE-1c920f6f-3
0.569
MAR-TRE-0fda4e82-89
0.566
MAR-TRE-0fda4e82-72
0.564
MAR-TRE-6c5ef77a-67
0.560
MAR-TRE-0fda4e82-90
0.558
MAR-TRE-1c920f6f-26
0.558
MAR-TRE-0fda4e82-47
0.553
MAR-TRE-0fda4e82-76
0.553
MAR-TRE-6c5ef77a-96
0.551
MAR-TRE-1c920f6f-74
0.547
MAR-TRE-6c5ef77a-64
0.545
MAR-TRE-6c5ef77a-46
0.539
MAR-TRE-1c920f6f-44
0.532
MAR-TRE-14ce9fd6-37
0.532
MAR-TRE-6c5ef77a-58
0.525
MAR-TRE-14ce9fd6-1
0.520
MAR-TRE-1c920f6f-49
0.512
MAR-TRE-0fda4e82-29
0.512
MAR-TRE-6c5ef77a-51
0.512
MAR-TRE-6c5ef77a-55
0.506
MAR-TRE-6c5ef77a-93
0.462
MAR-TRE-1c920f6f-10
0.455
MAR-TRE-a3327163-50
0.400
MAR-TRE-1c920f6f-82
0.395
MAR-TRE-0fda4e82-63
0.391
MAR-TRE-a3327163-80
0.381
MAR-TRE-6c5ef77a-68
0.375
JAG-UCB-a3ef7265-10
0.375
MAR-TRE-6c5ef77a-40
0.365
MAR-TRE-0fda4e82-36
0.362
MAR-TRE-a3327163-61
0.361
MAR-TRE-a3327163-29
0.357
MAR-TRE-a3327163-37
0.352
MAR-TRE-0fda4e82-68
0.351
ALE-HEI-f28a35b5-4
0.351
MAR-TRE-0fda4e82-81
0.346
MAR-TRE-d0525fbf-93
0.341
MAR-TRE-a3327163-20
0.337
MAR-TRE-0fda4e82-31
0.330
MAR-TRE-1c920f6f-20
0.326
MAR-TRE-6c5ef77a-22
0.322
MAR-TRE-a3327163-24
0.319
MAR-TRE-6c5ef77a-29
0.319
MAR-TRE-a3327163-35
0.318
MAR-TRE-0fda4e82-38
0.316
MAR-TRE-a3327163-34
0.315
MAR-TRE-1c920f6f-100
0.315
ALE-HEI-f28a35b5-2
0.312
MAR-TRE-a3327163-42
0.310
MAR-TRE-1c920f6f-58
0.306
MAR-TRE-74c6519b-44
0.303
MAR-TRE-6c5ef77a-31
0.300
MAR-TRE-6c5ef77a-28
0.298
MAR-TRE-6c5ef77a-47
0.298
MAR-TRE-f5c2d31c-6
0.298
MAR-TRE-1c920f6f-75
0.298
MAR-TRE-fd17a9b8-23
0.297
MAR-TRE-a3327163-82
0.297
MAR-TRE-a3327163-53
0.294
MAR-TRE-14ce9fd6-4
0.293
MAR-TRE-a3327163-5
0.292
MAR-TRE-6c5ef77a-11
0.291
MAR-TRE-1c920f6f-95
0.290
MAR-TRE-6c5ef77a-74
0.289
MAR-TRE-a3327163-71
0.289
MAR-TRE-a3327163-18
0.289
MAR-TRE-a3327163-88
0.286
MAR-TRE-0fda4e82-84
0.286
MAR-TRE-1c920f6f-41
0.284
MAR-TRE-a3327163-43
0.284
MAR-TRE-0fda4e82-82
0.284
MAR-TRE-a9136c7b-43
0.282
MAR-TRE-6c5ef77a-32
0.278
MAR-TRE-0fda4e82-20
0.277
MAR-TRE-1c920f6f-46
0.274
MAR-TRE-14ce9fd6-36
0.273
MAR-TRE-6c5ef77a-48
0.272
MAR-TRE-1c920f6f-7
0.271
MAR-TRE-14ce9fd6-7
0.270
MAR-TRE-6c5ef77a-17
0.270
MAR-TRE-0fda4e82-6
0.270
MAR-TRE-a3327163-46
0.269
MAR-TRE-fd17a9b8-43
0.268
MAR-TRE-0fda4e82-30
0.266
MAR-TRE-0fda4e82-59
0.265
ALE-HEI-f28a35b5-5
0.265
MAR-TRE-0fda4e82-56
0.264
MAR-TRE-1c920f6f-5
0.264
MAR-TRE-6c5ef77a-37
0.264
MAR-TRE-0fda4e82-12
0.264