Molecular Properties | |
SMILES: | Cc1cc(C(=O)CSc2ncccc2C#N)c(C)n1C |
MW: | 285.09 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 58.68 |
cLogP: | 2.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4167163308 |
MolPort: | MolPort-004-217-874 |
Ketone
MAR-TRE-6c5ef77a-1
0.493
MAR-TRE-0fda4e82-90
0.475
MAR-TRE-14ce9fd6-43
0.474
MAR-TRE-a3327163-15
0.474
MAR-TRE-14ce9fd6-27
0.468
MAR-TRE-6c5ef77a-14
0.468
MAR-TRE-1c920f6f-10
0.467
MAR-TRE-0fda4e82-89
0.463
MAR-TRE-6c5ef77a-26
0.462
MAR-TRE-1c920f6f-47
0.461
MAR-TRE-1c920f6f-26
0.457
MAR-TRE-6c5ef77a-20
0.456
MAR-TRE-6c5ef77a-46
0.456
MAR-TRE-1c920f6f-42
0.453
MAR-TRE-1c920f6f-30
0.451
MAR-TRE-6c5ef77a-96
0.451
MAR-TRE-14ce9fd6-37
0.451
MAR-TRE-6c5ef77a-55
0.448
MAR-TRE-1c920f6f-3
0.442
MAR-TRE-6c5ef77a-67
0.438
MAR-TRE-6c5ef77a-66
0.436
MAR-TRE-14ce9fd6-1
0.436
MAR-TRE-0fda4e82-76
0.432
MAR-TRE-1c920f6f-44
0.432
MAR-TRE-0fda4e82-47
0.432
MAR-TRE-0fda4e82-72
0.429
MAR-TRE-6c5ef77a-33
0.427
MAR-TRE-6c5ef77a-64
0.427
MAR-TRE-1c920f6f-74
0.425
MAR-TRE-1c920f6f-49
0.417
MAR-TRE-0fda4e82-29
0.417
MAR-TRE-6c5ef77a-51
0.417
MAR-TRE-6c5ef77a-58
0.412
MAR-TRE-1c920f6f-82
0.405
MAR-TRE-6c5ef77a-40
0.341
MAR-TRE-a3327163-24
0.329
MAR-TRE-6c5ef77a-48
0.312
MAR-TRE-0fda4e82-82
0.306
MAR-TRE-a3327163-37
0.306
MAR-TRE-0fda4e82-12
0.299
MAR-TRE-6c5ef77a-68
0.293
MAR-TRE-a3327163-1
0.292
MAR-TRE-6c5ef77a-31
0.291
MAR-TRE-1c920f6f-96
0.283
MAR-TRE-6c5ef77a-71
0.282
MAR-TRE-d0525fbf-93
0.277
MAR-TRE-a3327163-5
0.271
MAR-TRE-6c5ef77a-89
0.270
MAR-TRE-14ce9fd6-4
0.268
MAR-TRE-0fda4e82-63
0.266
NAU-LAT-445f63e5-4
0.265
MAR-TRE-a3327163-21
0.265
MAR-TRE-1c920f6f-29
0.261
MAR-TRE-1c920f6f-53
0.261
MAR-TRE-1c920f6f-94
0.261
MAR-TRE-14ce9fd6-65
0.259
MAR-TRE-0fda4e82-77
0.259
MAR-TRE-a3327163-29
0.258
MAR-TRE-14ce9fd6-86
0.256
MAR-TRE-0fda4e82-40
0.256
MAR-TRE-c8530538-39
0.255
MAR-TRE-14ce9fd6-70
0.253
MAR-TRE-1c920f6f-81
0.253
MAR-TRE-0fda4e82-31
0.253
MAR-TRE-0fda4e82-84
0.250
MAR-TRE-14ce9fd6-87
0.250
MAR-TRE-1c920f6f-56
0.247
MAR-TRE-a3327163-61
0.247
MAR-TRE-0fda4e82-6
0.247
MAR-TRE-6c5ef77a-49
0.247
MAR-TRE-6c5ef77a-5
0.244
MAR-TRE-a9136c7b-43
0.244
MAR-TRE-6c5ef77a-37
0.242
MAR-TRE-a3327163-20
0.242
MAR-TRE-04c86cea-14
0.241
MAR-TRE-0fda4e82-30
0.241
MAR-TRE-a3327163-76
0.240
MAR-TRE-1c920f6f-17
0.239
MAR-TRE-0fda4e82-32
0.237
MAR-TRE-a3327163-73
0.237
ANT-DIA-3c79be55-1
0.237
MAR-TRE-b77b7921-73
0.236
MAR-TRE-7f7bb9f0-42
0.235
MAR-TRE-a3327163-66
0.235
MAR-TRE-0fda4e82-19
0.235
MAR-TRE-f6f5f473-42
0.234
MAR-TRE-a3327163-82
0.234
MAR-TRE-1c920f6f-15
0.234
MAR-TRE-14ce9fd6-19
0.233
MAR-TRE-14ce9fd6-50
0.233
MAR-TRE-a3327163-8
0.233
MAR-TRE-a3327163-25
0.233
MAR-TRE-a3327163-38
0.232
DAR-DIA-bd041b9b-23
0.232
NIM-UNI-0ea3b7bf-3
0.232
NIM-UNI-36e12f95-5
0.231
MAR-TRE-7f7bb9f0-23
0.231
MAR-TRE-0fda4e82-21
0.231
MAR-TRE-0fda4e82-22
0.231
MAR-TRE-4f781e27-98
0.231