Molecular Properties | |
SMILES: | Cc1nc(SCC(N)=O)c(C#N)c(C)c1C |
MW: | 235.08 |
Fraction sp3: | 0.36 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 79.77 |
cLogP: | 1.46 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9271586904 |
MolPort: | MolPort-002-138-234 |
MAR-TRE-0fda4e82-21
0.739
MAR-TRE-0fda4e82-19
0.680
MAR-TRE-14ce9fd6-2
0.642
MAR-TRE-a3327163-10
0.636
MAR-TRE-0fda4e82-30
0.519
MAR-TRE-6c5ef77a-31
0.483
MAR-TRE-0fda4e82-59
0.472
MAR-TRE-a3327163-37
0.444
MAR-TRE-14ce9fd6-4
0.354
MAR-TRE-6c5ef77a-48
0.349
MAR-TRE-a3327163-25
0.324
MAR-TRE-1c920f6f-38
0.324
MAR-TRE-6c5ef77a-7
0.323
MAR-TRE-14ce9fd6-20
0.319
MAR-TRE-14ce9fd6-15
0.315
MAR-TRE-6c5ef77a-71
0.310
MAR-TRE-a3327163-6
0.310
MAR-TRE-14ce9fd6-22
0.310
MAR-TRE-a3327163-21
0.309
MAR-TRE-6c5ef77a-18
0.309
MAR-TRE-1c920f6f-16
0.306
MAR-TRE-a3327163-24
0.305
MAR-TRE-a3327163-8
0.304
MAR-TRE-0fda4e82-31
0.304
MAR-TRE-0fda4e82-84
0.303
MAR-TRE-6c5ef77a-89
0.300
MAR-TRE-a3327163-11
0.300
MAR-TRE-1c920f6f-20
0.299
NIC-UNK-64545e17-1
0.299
MAR-TRE-14ce9fd6-86
0.299
MAR-TRE-14ce9fd6-70
0.294
MAR-TRE-a3327163-80
0.289
MAR-TRE-1c920f6f-81
0.289
MAR-TRE-a3327163-1
0.286
MAR-TRE-a3327163-12
0.286
MAR-TRE-1c920f6f-29
0.284
MAR-TRE-1c920f6f-94
0.284
MAR-TRE-1c920f6f-53
0.284
MAR-TRE-a3327163-29
0.280
MAR-TRE-6c5ef77a-5
0.280
MAR-TRE-f5c2d31c-30
0.279
MAR-TRE-6c5ef77a-99
0.278
MAR-TRE-6c5ef77a-9
0.276
MAR-TRE-0fda4e82-12
0.276
MAR-TRE-1c920f6f-95
0.275
MAR-TRE-6c5ef77a-74
0.273
MAR-TRE-a3327163-17
0.273
MAR-TRE-6c5ef77a-68
0.272
MAR-TRE-a3327163-88
0.269
MAR-TRE-1c920f6f-100
0.269
MAR-TRE-a3327163-7
0.269
MAR-TRE-6c5ef77a-28
0.268
MAR-TRE-6c5ef77a-10
0.268
MAR-TRE-14ce9fd6-50
0.268
MAR-TRE-0fda4e82-6
0.267
MAR-TRE-0fda4e82-82
0.267
MAR-TRE-a3327163-38
0.262
MAR-TRE-6c5ef77a-94
0.261
MAR-TRE-6c5ef77a-37
0.260
MAR-TRE-6c5ef77a-11
0.254
MAR-TRE-6c5ef77a-23
0.254
MAR-TRE-6c5ef77a-47
0.253
MAR-TRE-0fda4e82-8
0.253
MAR-TRE-f5c2d31c-6
0.253
MAR-TRE-a3327163-82
0.250
MAR-TRE-0fda4e82-42
0.250
MAK-UNK-4b073b5c-24
0.250
MAR-TRE-6c5ef77a-29
0.247
MAR-TRE-6c5ef77a-32
0.247
MAR-TRE-a3327163-30
0.247
MAR-TRE-6c5ef77a-1
0.247
MAR-TRE-14ce9fd6-65
0.246
MAR-TRE-a3327163-18
0.244
MAR-TRE-0fda4e82-100
0.244
MAR-TRE-6c5ef77a-15
0.243
MAR-TRE-6c5ef77a-26
0.241
MAR-TRE-1c920f6f-17
0.241
MAR-TRE-a3327163-60
0.239
MAR-TRE-6c5ef77a-17
0.239
MAR-TRE-0fda4e82-53
0.239
MAR-TRE-f5c2d31c-2
0.237
MAR-TRE-a3327163-2
0.235
MAR-TRE-6c5ef77a-14
0.235
MAR-TRE-1c920f6f-15
0.235
MAR-TRE-74c6519b-44
0.233
MAT-POS-b5746674-125
0.233
MAR-TRE-6c5ef77a-49
0.233
MAR-TRE-6c5ef77a-4
0.231
MAR-TRE-6c5ef77a-93
0.231
MAR-TRE-0fda4e82-38
0.230
MAR-TRE-0fda4e82-77
0.230
MAR-TRE-0fda4e82-81
0.230
MAR-TRE-1c920f6f-25
0.230
MAR-TRE-0fda4e82-96
0.229
MAR-TRE-f5c2d31c-41
0.229
MAR-TRE-1c920f6f-70
0.229
MAR-TRE-1c920f6f-96
0.229
MAR-TRE-0fda4e82-69
0.229
MAR-TRE-0fda4e82-40
0.228
MAR-TRE-0fda4e82-67
0.227