Molecular Properties | |
SMILES: | CC(C)OC(=O)CSc1nc2c(cc1C#N)CCCCC2 |
MW: | 304.12 |
Fraction sp3: | 0.56 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 62.98 |
cLogP: | 3.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1808356346 |
MolPort: | MolPort-002-007-208 |
Carboxylic acid esters
Ester
MAR-TRE-1c920f6f-15
0.739
MAR-TRE-14ce9fd6-22
0.687
MAR-TRE-1c920f6f-11
0.671
MAR-TRE-1c920f6f-17
0.662
MAR-TRE-1c920f6f-25
0.632
MAR-TRE-14ce9fd6-19
0.618
MAR-TRE-14ce9fd6-20
0.609
MAR-TRE-1c920f6f-1
0.573
MAR-TRE-14ce9fd6-5
0.556
MAR-TRE-1c920f6f-38
0.549
MAR-TRE-1c920f6f-58
0.548
MAR-TRE-0fda4e82-13
0.545
MAR-TRE-14ce9fd6-6
0.541
MAR-TRE-14ce9fd6-91
0.537
MAR-TRE-14ce9fd6-76
0.528
MAR-TRE-14ce9fd6-12
0.513
MAR-TRE-14ce9fd6-81
0.500
MAR-TRE-14ce9fd6-96
0.500
MAR-TRE-0fda4e82-36
0.494
MAR-TRE-14ce9fd6-93
0.494
MAR-TRE-14ce9fd6-11
0.494
MAR-TRE-14ce9fd6-79
0.493
MAR-TRE-14ce9fd6-42
0.488
MAR-TRE-14ce9fd6-7
0.483
MAR-TRE-14ce9fd6-14
0.457
MAR-TRE-a3327163-21
0.453
MAR-TRE-0fda4e82-68
0.449
MAR-TRE-1c920f6f-19
0.449
MAR-TRE-14ce9fd6-80
0.447
MAR-TRE-14ce9fd6-92
0.446
MAR-TRE-14ce9fd6-75
0.440
MAR-TRE-1c920f6f-13
0.427
MAR-TRE-6c5ef77a-5
0.415
MAR-TRE-14ce9fd6-46
0.402
MAR-TRE-14ce9fd6-18
0.402
MAR-TRE-14ce9fd6-90
0.393
MAR-TRE-14ce9fd6-40
0.374
MAR-TRE-6c5ef77a-27
0.371
MAR-TRE-1c920f6f-16
0.357
MAR-TRE-1c920f6f-68
0.341
MAR-TRE-6c5ef77a-71
0.329
MAR-TRE-14ce9fd6-15
0.318
MAR-TRE-6c5ef77a-15
0.318
MAR-TRE-1c920f6f-96
0.298
MAR-TRE-6c5ef77a-48
0.296
MAR-TRE-a3327163-25
0.294
MAR-TRE-6c5ef77a-31
0.293
MAR-TRE-0fda4e82-6
0.292
MAR-TRE-0fda4e82-46
0.289
MAR-TRE-14ce9fd6-70
0.286
MAR-TRE-1c920f6f-85
0.280
MAR-TRE-a3327163-24
0.276
MAR-TRE-a3327163-37
0.273
MAR-TRE-14ce9fd6-4
0.271
MAR-TRE-1c920f6f-10
0.267
MAR-TRE-a3327163-8
0.264
MAR-TRE-0fda4e82-82
0.264
MAR-TRE-a3327163-82
0.263
MAR-TRE-0fda4e82-30
0.259
MAR-TRE-14ce9fd6-86
0.259
MAR-TRE-a3327163-6
0.256
MAR-TRE-1c920f6f-81
0.255
MAR-TRE-6c5ef77a-18
0.253
MAR-TRE-a3327163-1
0.253
MAR-TRE-0fda4e82-42
0.250
MAR-TRE-1c920f6f-94
0.250
MAR-TRE-a3327163-5
0.248
MAR-TRE-6c5ef77a-64
0.247
MAR-TRE-6c5ef77a-93
0.247
MAR-TRE-14ce9fd6-1
0.247
MAR-TRE-a3327163-71
0.245
MAR-TRE-1c920f6f-82
0.245
MAR-TRE-0fda4e82-12
0.245
MAR-TRE-6c5ef77a-68
0.242
MAR-TRE-0fda4e82-31
0.242
MAR-TRE-6c5ef77a-89
0.241
MAR-TRE-6c5ef77a-58
0.240
MAR-TRE-0fda4e82-8
0.240
MAR-TRE-6c5ef77a-67
0.240
MAR-TRE-1c920f6f-100
0.240
MAR-TRE-0fda4e82-84
0.240
MAR-TRE-0fda4e82-19
0.238
MAR-TRE-fd17a9b8-23
0.237
MAR-TRE-6c5ef77a-14
0.237
MAR-TRE-0fda4e82-76
0.237
MAR-TRE-1c920f6f-29
0.237
MAR-TRE-14ce9fd6-35
0.237
MAR-TRE-a3327163-10
0.236
MAR-TRE-14ce9fd6-50
0.236
MAR-TRE-a3327163-7
0.235
MAR-TRE-0fda4e82-89
0.235
MAR-TRE-4f781e27-98
0.234
MAR-TRE-a3327163-11
0.233
MAR-TRE-14ce9fd6-65
0.233
MAR-TRE-1c920f6f-95
0.232
MAR-TRE-14ce9fd6-48
0.232
MAR-TRE-6c5ef77a-9
0.232
MAR-TRE-6c5ef77a-96
0.230
MAR-TRE-1c920f6f-49
0.230
MAR-TRE-1c920f6f-30
0.230