Molecular Properties | |
SMILES: | CCc1nnc(NC(=O)CSc2nc3c(cc2C#N)CCCC3)s1 |
MW: | 359.09 |
Fraction sp3: | 0.44 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 91.56 |
cLogP: | 2.98 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9439952316 |
MolPort: | MolPort-002-183-816 |
MAR-TRE-0fda4e82-68
0.878
MAR-TRE-1c920f6f-58
0.628
MAR-TRE-1c920f6f-25
0.613
MAR-TRE-14ce9fd6-19
0.600
MAR-TRE-14ce9fd6-20
0.592
MAR-TRE-14ce9fd6-7
0.580
MAR-TRE-1c920f6f-1
0.562
MAR-TRE-1c920f6f-17
0.561
MAR-TRE-a3327163-80
0.542
MAR-TRE-14ce9fd6-22
0.537
MAR-TRE-14ce9fd6-6
0.533
MAR-TRE-1c920f6f-15
0.512
MAR-TRE-1c920f6f-19
0.511
MAR-TRE-6c5ef77a-33
0.506
MAR-TRE-1c920f6f-11
0.500
MAR-TRE-1c920f6f-38
0.500
MAR-TRE-1c920f6f-56
0.494
MAR-TRE-14ce9fd6-81
0.494
MAR-TRE-14ce9fd6-96
0.494
MAR-TRE-14ce9fd6-11
0.488
MAR-TRE-14ce9fd6-76
0.481
MAR-TRE-14ce9fd6-79
0.469
MAR-TRE-0fda4e82-13
0.466
MAR-TRE-14ce9fd6-14
0.438
MAR-TRE-14ce9fd6-80
0.412
MAR-TRE-14ce9fd6-92
0.410
MAR-TRE-14ce9fd6-12
0.407
MAR-TRE-6c5ef77a-27
0.404
MAR-TRE-14ce9fd6-5
0.402
MAR-TRE-14ce9fd6-91
0.395
MAR-TRE-14ce9fd6-46
0.389
MAR-TRE-14ce9fd6-75
0.388
MAR-TRE-14ce9fd6-42
0.375
MAR-TRE-14ce9fd6-18
0.374
MAR-TRE-6c5ef77a-68
0.371
MAR-TRE-14ce9fd6-93
0.370
MAR-TRE-6c5ef77a-19
0.368
MAR-TRE-6c5ef77a-26
0.362
MAR-TRE-a3327163-29
0.340
MAR-TRE-14ce9fd6-90
0.340
MAR-TRE-14ce9fd6-40
0.337
MAR-TRE-0fda4e82-63
0.330
MAR-TRE-1c920f6f-100
0.330
MAR-TRE-a3327163-82
0.327
MAR-TRE-1c920f6f-13
0.323
MAR-TRE-1c920f6f-16
0.319
MAR-TRE-0fda4e82-31
0.317
MAR-TRE-1c920f6f-20
0.313
MAR-TRE-6c5ef77a-14
0.313
MAR-TRE-6c5ef77a-29
0.308
MAR-TRE-1c920f6f-95
0.307
MAR-TRE-1c920f6f-68
0.305
MAR-TRE-6c5ef77a-20
0.303
MAR-TRE-6c5ef77a-28
0.301
MAR-TRE-a3327163-15
0.299
MAR-TRE-a3327163-71
0.292
MAR-TRE-a3327163-88
0.290
MAR-TRE-d0525fbf-93
0.288
MAR-TRE-14ce9fd6-15
0.286
MAR-TRE-a3327163-18
0.280
MAR-TRE-e82e6c98-87
0.280
MAR-TRE-a3327163-50
0.278
MAR-TRE-6c5ef77a-48
0.278
MAR-TRE-6c5ef77a-31
0.275
MAR-TRE-fd17a9b8-23
0.275
MAR-TRE-a3327163-11
0.274
MAR-TRE-0fda4e82-46
0.274
MAR-TRE-1c920f6f-12
0.273
MAR-TRE-0fda4e82-30
0.273
MAR-TRE-6c5ef77a-32
0.271
MAR-TRE-6c5ef77a-22
0.270
MAR-TRE-a3327163-20
0.270
MAR-TRE-0fda4e82-43
0.269
MAR-TRE-0fda4e82-18
0.266
MAR-TRE-f5c2d31c-6
0.264
MAR-TRE-6c5ef77a-47
0.264
MAR-TRE-6c5ef77a-17
0.264
MAR-TRE-a3327163-61
0.263
MAR-TRE-1c920f6f-3
0.263
MAR-TRE-0fda4e82-47
0.262
MAR-TRE-0fda4e82-89
0.260
MAR-TRE-a3327163-24
0.259
MAR-TRE-1c920f6f-96
0.257
MAR-TRE-1c920f6f-37
0.257
MAR-TRE-1c920f6f-4
0.257
MAR-TRE-a3327163-37
0.256
MAR-TRE-a3327163-6
0.255
MAR-TRE-6c5ef77a-71
0.255
MAR-TRE-1c920f6f-74
0.255
MAR-TRE-6c5ef77a-96
0.255
MAR-TRE-1c920f6f-49
0.255
MAR-TRE-1c920f6f-30
0.255
MAR-TRE-6c5ef77a-11
0.253
MAR-TRE-a3327163-21
0.253
MAR-TRE-6c5ef77a-67
0.252
MAR-TRE-14ce9fd6-43
0.252
MAR-TRE-1c920f6f-41
0.252
MAR-TRE-6c5ef77a-55
0.250
MAR-TRE-0fda4e82-42
0.250
MAR-TRE-1c920f6f-29
0.250