Molecular Properties | |
SMILES: | Cc1c(F)cccc1NC(=O)CSc1ncccc1C#N |
MW: | 301.07 |
Fraction sp3: | 0.13 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 65.78 |
cLogP: | 3.13 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9510263859 |
MolPort: | MolPort-003-843-963 |
MAR-TRE-0fda4e82-89
0.732
MAR-TRE-1c920f6f-74
0.690
MAR-TRE-1c920f6f-3
0.625
MAR-TRE-6c5ef77a-96
0.603
MAR-TRE-1c920f6f-49
0.603
MAR-TRE-1c920f6f-30
0.582
MAR-TRE-6c5ef77a-66
0.573
MAR-TRE-14ce9fd6-43
0.571
MAR-TRE-0fda4e82-47
0.564
MAR-TRE-6c5ef77a-26
0.558
MAR-TRE-1c920f6f-42
0.554
MAR-TRE-6c5ef77a-20
0.551
MAR-TRE-6c5ef77a-14
0.544
MAR-TRE-0fda4e82-76
0.544
MAR-TRE-14ce9fd6-27
0.544
MAR-TRE-6c5ef77a-51
0.543
MAR-TRE-14ce9fd6-37
0.543
MAR-TRE-1c920f6f-47
0.539
MAR-TRE-a3327163-15
0.532
MAR-TRE-6c5ef77a-67
0.532
MAR-TRE-1c920f6f-26
0.531
MAR-TRE-1c920f6f-44
0.525
MAR-TRE-6c5ef77a-33
0.519
MAR-TRE-6c5ef77a-64
0.519
MAR-TRE-0fda4e82-72
0.518
MAR-TRE-6c5ef77a-46
0.512
MAR-TRE-6c5ef77a-58
0.500
MAR-TRE-6c5ef77a-55
0.500
MAR-TRE-0fda4e82-29
0.488
MAR-TRE-6c5ef77a-93
0.475
MAR-TRE-14ce9fd6-1
0.475
MAR-TRE-1c920f6f-10
0.468
MAR-TRE-1c920f6f-82
0.425
MAR-TRE-d0525fbf-93
0.385
MAR-TRE-a3327163-46
0.356
MAR-TRE-0fda4e82-67
0.340
MAR-TRE-6c5ef77a-40
0.333
MAR-TRE-3159af1a-55
0.333
MAR-TRE-a3327163-61
0.330
MAR-TRE-a3327163-20
0.322
MAR-TRE-a3327163-50
0.318
MAR-TRE-74c6519b-44
0.317
MAR-TRE-a3327163-18
0.316
MAR-TRE-0fda4e82-63
0.316
ANT-DIA-3c79be55-1
0.315
MAR-TRE-3e4e6814-95
0.310
AGN-NEW-c7b24fe3-3
0.303
MAR-TRE-a3327163-35
0.303
MAR-TRE-a3327163-24
0.303
MAR-TRE-f5c2d31c-85
0.302
MAR-TRE-7f7bb9f0-23
0.301
MAR-TRE-6c5ef77a-47
0.299
MAR-TRE-f5c2d31c-6
0.299
MAR-TRE-a3327163-82
0.298
MAR-TRE-9c797165-27
0.297
MAR-TRE-f5c2d31c-54
0.295
ANT-DIA-3c79be55-2
0.294
MAR-TRE-6c5ef77a-74
0.290
MAR-TRE-6c5ef77a-68
0.289
LON-WEI-d1c9908a-13
0.288
LON-WEI-d1c9908a-9
0.287
LON-WEI-b8d98729-36
0.286
MAR-TRE-6c5ef77a-17
0.284
MAR-TRE-1c920f6f-75
0.284
MAR-TRE-0fda4e82-60
0.283
MAR-TRE-a3327163-29
0.283
MAR-TRE-a3327163-37
0.282
MAR-TRE-7f7bb9f0-42
0.282
MAR-TRE-1c920f6f-91
0.281
MAR-TRE-0fda4e82-59
0.280
AGN-NEW-c7b24fe3-4
0.278
MAR-TRE-a3327163-71
0.277
MAR-TRE-0fda4e82-38
0.277
MAR-TRE-14ce9fd6-51
0.276
MAR-TRE-0fda4e82-31
0.276
MAR-TRE-1c920f6f-100
0.274
MAR-TRE-a3327163-92
0.273
ALP-POS-95b75b4d-9
0.272
AGN-NEW-c7b24fe3-2
0.272
MAR-TRE-7f7bb9f0-48
0.271
MAR-TRE-1c920f6f-20
0.271
MAR-TRE-2fd8122f-46
0.267
MAR-TRE-6c5ef77a-32
0.267
MAR-TRE-a3327163-5
0.267
MAR-TRE-a3327163-42
0.267
MAR-TRE-0fda4e82-70
0.267
MAR-TRE-d0525fbf-27
0.266
MAR-TRE-a3327163-34
0.263
ANT-DIA-3c79be55-3
0.262
MAR-TRE-f5c2d31c-67
0.261
AGN-NEW-c7b24fe3-6
0.261
MAR-TRE-a9136c7b-28
0.261
MAR-TRE-a3327163-88
0.260
MAR-TRE-1c920f6f-1
0.260
ASH-SAT-43770c7d-9
0.259
EDG-MED-0da5ad92-14
0.258
MAR-TRE-a3327163-43
0.258
MAR-TRE-fd17a9b8-23
0.258
MAK-UNK-51bb34f9-3
0.257
MAR-TRE-1c920f6f-58
0.257