Molecular Properties | |
SMILES: | COC(=O)CSc1nc(C)c(C)c(C)c1C#N |
MW: | 250.08 |
Fraction sp3: | 0.42 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 62.98 |
cLogP: | 2.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1157263638 |
MolPort: | MolPort-001-949-394 |
Ester
MAR-TRE-0fda4e82-21
0.680
MAR-TRE-0fda4e82-22
0.680
MAR-TRE-a3327163-10
0.679
MAR-TRE-14ce9fd6-2
0.596
MAR-TRE-0fda4e82-59
0.507
NIC-UNK-64545e17-1
0.492
MAR-TRE-a3327163-7
0.435
MAR-TRE-a3327163-8
0.382
MAR-TRE-a3327163-25
0.382
MAR-TRE-a3327163-21
0.368
MAR-TRE-6c5ef77a-23
0.368
MAR-TRE-6c5ef77a-5
0.351
MAR-TRE-6c5ef77a-71
0.347
MAR-TRE-1c920f6f-13
0.347
MAR-TRE-0fda4e82-30
0.344
MAR-TRE-a3327163-6
0.329
MAR-TRE-6c5ef77a-18
0.329
MAR-TRE-6c5ef77a-48
0.328
MAR-TRE-1c920f6f-81
0.325
MAR-TRE-6c5ef77a-31
0.324
MAR-TRE-a3327163-60
0.318
MAR-TRE-6c5ef77a-28
0.317
MAR-TRE-6c5ef77a-9
0.312
MAR-TRE-a3327163-88
0.304
MAR-TRE-1c920f6f-94
0.303
MAR-TRE-a3327163-11
0.301
MAR-TRE-a3327163-29
0.299
MAR-TRE-6c5ef77a-99
0.297
MAR-TRE-14ce9fd6-70
0.296
MAR-TRE-a3327163-18
0.291
MAR-TRE-6c5ef77a-68
0.289
MAR-TRE-6c5ef77a-10
0.288
MAR-TRE-a3327163-24
0.286
MAR-TRE-0fda4e82-8
0.286
MAR-TRE-1c920f6f-53
0.286
MAR-TRE-0fda4e82-6
0.286
MAR-TRE-6c5ef77a-7
0.286
MAR-TRE-a3327163-82
0.284
MAR-TRE-0fda4e82-42
0.282
MAR-TRE-14ce9fd6-86
0.282
MAR-TRE-6c5ef77a-94
0.282
MAR-TRE-a3327163-37
0.281
MAR-TRE-6c5ef77a-89
0.281
MAR-TRE-6c5ef77a-29
0.279
MAR-TRE-6c5ef77a-32
0.279
MAR-TRE-a3327163-30
0.279
MAR-TRE-6c5ef77a-37
0.278
MAR-TRE-a3327163-80
0.275
MAR-TRE-0fda4e82-31
0.274
MAR-TRE-a3327163-1
0.272
MAR-TRE-0fda4e82-13
0.272
MAR-TRE-1c920f6f-100
0.272
MAR-TRE-6c5ef77a-17
0.270
MAR-TRE-0fda4e82-53
0.270
MAR-TRE-1c920f6f-29
0.269
MAR-TRE-0fda4e82-82
0.269
MAR-TRE-a3327163-12
0.269
MAR-TRE-6c5ef77a-14
0.268
MAR-TRE-1c920f6f-20
0.268
MAR-TRE-0fda4e82-69
0.268
MAR-TRE-6c5ef77a-15
0.263
MAR-TRE-0fda4e82-12
0.263
MAR-TRE-1c920f6f-95
0.262
MAR-TRE-1c920f6f-11
0.262
MAR-TRE-1c920f6f-17
0.259
MAR-TRE-6c5ef77a-74
0.259
MAR-TRE-14ce9fd6-77
0.257
MAR-TRE-6c5ef77a-67
0.256
MAR-TRE-14ce9fd6-50
0.253
MAR-TRE-1c920f6f-15
0.253
MAR-TRE-a3327163-2
0.253
MAR-TRE-0fda4e82-89
0.250
MAR-TRE-a3327163-71
0.247
MAR-TRE-0fda4e82-90
0.247
MAR-TRE-1c920f6f-96
0.247
MAR-TRE-0fda4e82-66
0.246
MAR-TRE-a3327163-76
0.244
MAR-TRE-a3327163-17
0.244
MAR-TRE-f5c2d31c-6
0.241
MAR-TRE-6c5ef77a-47
0.241
MAR-TRE-6c5ef77a-3
0.241
MAR-TRE-6c5ef77a-11
0.239
MAR-TRE-0fda4e82-76
0.238
MAR-TRE-1c920f6f-56
0.238
MAT-POS-b5746674-125
0.237
MAR-TRE-74c6519b-44
0.237
MAR-TRE-a3327163-5
0.236
MAR-TRE-a3327163-38
0.236
MAR-TRE-6c5ef77a-60
0.235
MAR-TRE-a3327163-39
0.235
MAR-TRE-6c5ef77a-93
0.235
MAR-TRE-14ce9fd6-15
0.235
MAR-TRE-0fda4e82-38
0.233
MAR-TRE-14ce9fd6-65
0.233
MAR-TRE-0fda4e82-100
0.233
MAR-TRE-6c5ef77a-27
0.233
MAR-TRE-0fda4e82-67
0.231
MAR-TRE-6c5ef77a-96
0.230
MAR-TRE-a3327163-34
0.230
MAR-TRE-f5c2d31c-62
0.230