Molecular Properties | |
SMILES: | Cc1c(Cl)cccc1NC(=O)CSc1ncccc1C#N |
MW: | 317.04 |
Fraction sp3: | 0.13 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 65.78 |
cLogP: | 3.65 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2256919540 |
MolPort: | MolPort-003-843-965 |
MAR-TRE-0fda4e82-90
0.732
MAR-TRE-1c920f6f-3
0.634
MAR-TRE-6c5ef77a-96
0.632
MAR-TRE-1c920f6f-74
0.608
MAR-TRE-1c920f6f-26
0.597
MAR-TRE-14ce9fd6-43
0.579
MAR-TRE-6c5ef77a-46
0.579
MAR-TRE-6c5ef77a-26
0.566
MAR-TRE-1c920f6f-42
0.562
MAR-TRE-6c5ef77a-20
0.558
MAR-TRE-6c5ef77a-67
0.558
MAR-TRE-14ce9fd6-27
0.551
MAR-TRE-6c5ef77a-14
0.551
MAR-TRE-6c5ef77a-51
0.550
MAR-TRE-1c920f6f-49
0.550
MAR-TRE-0fda4e82-29
0.550
MAR-TRE-1c920f6f-47
0.547
MAR-TRE-6c5ef77a-64
0.544
MAR-TRE-0fda4e82-72
0.543
MAR-TRE-6c5ef77a-66
0.539
MAR-TRE-a3327163-15
0.539
MAR-TRE-0fda4e82-47
0.532
MAR-TRE-0fda4e82-76
0.532
MAR-TRE-1c920f6f-44
0.532
MAR-TRE-1c920f6f-30
0.531
MAR-TRE-14ce9fd6-37
0.531
MAR-TRE-6c5ef77a-33
0.525
MAR-TRE-6c5ef77a-58
0.524
MAR-TRE-6c5ef77a-55
0.506
MAR-TRE-14ce9fd6-1
0.500
MAR-TRE-1c920f6f-10
0.474
MAR-TRE-6c5ef77a-93
0.463
MAR-TRE-1c920f6f-91
0.430
MAR-TRE-1c920f6f-82
0.414
MAR-TRE-d0525fbf-93
0.404
MAR-TRE-a9136c7b-28
0.386
MAR-TRE-d0525fbf-27
0.384
MAR-TRE-6c5ef77a-82
0.375
MAR-TRE-3e4e6814-46
0.359
MAR-TRE-74c6519b-44
0.347
MAR-TRE-0fda4e82-67
0.344
MAR-TRE-f5c2d31c-67
0.337
MAR-TRE-6c5ef77a-40
0.337
MAR-TRE-a3327163-61
0.333
MAR-TRE-a3327163-92
0.330
MAR-TRE-a3327163-20
0.326
MAR-TRE-a3327163-18
0.320
MAR-TRE-0fda4e82-63
0.319
MAR-TRE-7f7bb9f0-23
0.317
MAR-TRE-9c797165-27
0.313
MAR-TRE-7f7bb9f0-42
0.310
MAR-TRE-a3327163-50
0.307
MAR-TRE-a3327163-35
0.307
MAR-TRE-a3327163-24
0.307
MAR-TRE-a3327163-71
0.306
ANT-DIA-3c79be55-1
0.304
MAR-TRE-1c920f6f-75
0.302
MAR-TRE-a3327163-46
0.301
MAR-TRE-a3327163-82
0.301
MAR-TRE-7f7bb9f0-48
0.298
ANT-DIA-3c79be55-2
0.298
AGN-NEW-c7b24fe3-4
0.295
AGN-NEW-cce853d0-2
0.295
MAR-TRE-14ce9fd6-51
0.294
AGN-NEW-c7b24fe3-3
0.292
MAR-TRE-6c5ef77a-68
0.292
MAR-TRE-3e4e6814-95
0.287
MAR-TRE-a3327163-29
0.286
MAR-TRE-a3327163-37
0.286
MAR-TRE-0fda4e82-60
0.286
MAR-TRE-a3327163-42
0.284
MAR-TRE-9c797165-49
0.283
MAR-TRE-0fda4e82-59
0.283
MAK-UNK-a7b37c5e-3
0.280
LON-WEI-adc59df6-9
0.280
MAR-TRE-0fda4e82-38
0.280
MAR-TRE-6c5ef77a-74
0.280
MAR-TRE-0fda4e82-31
0.278
MAR-TRE-67513f76-71
0.278
RAL-THA-2d450e86-20
0.277
MAT-POS-afd4d4fd-1
0.277
MAR-TRE-1c920f6f-100
0.277
MAR-TRE-a3327163-88
0.277
AAR-POS-0daf6b7e-20
0.276
EDG-MED-0da5ad92-14
0.276
MAR-TRE-a3327163-43
0.275
MAR-TRE-1c920f6f-1
0.275
MAR-TRE-1c920f6f-20
0.274
MAR-TRE-fd17a9b8-23
0.274
MAR-TRE-3159af1a-46
0.274
MAR-TRE-9c797165-76
0.273
MAR-TRE-1c920f6f-58
0.272
MAR-TRE-a3327163-5
0.270
MAR-TRE-0fda4e82-70
0.269
MAR-TRE-74c6519b-15
0.269
RAL-THA-2d450e86-21
0.268
PET-UNK-6314f867-3
0.268
MAR-TRE-f6f5f473-30
0.267
AGN-NEW-c7b24fe3-5
0.267
JAG-UCB-a3ef7265-5
0.267