Molecular Properties | |
SMILES: | COC(=O)CN(c1cnc(CCl)[nH]1)C(SC)SC |
MW: | 309.04 |
Fraction sp3: | 0.6 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 58.22 |
cLogP: | 2.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_acetal
het-C-het not in ring
Filter6_benzyl_halide
Ester
Long aliphatic chain
Alkyl Halide
Dithiomethylene_acetal
MAR-TRE-87acfbcc-68
0.508
MAR-TRE-423310b6-64
0.448
MAR-TRE-87acfbcc-26
0.407
MAR-TRE-87acfbcc-1
0.400
MAR-TRE-87acfbcc-27
0.397
MAR-TRE-87acfbcc-82
0.397
MAR-TRE-87acfbcc-69
0.397
MAR-TRE-87acfbcc-92
0.391
MAR-TRE-87acfbcc-6
0.382
MAR-TRE-87acfbcc-86
0.381
MAR-TRE-87acfbcc-32
0.377
MAR-TRE-87acfbcc-12
0.365
MAR-TRE-87acfbcc-74
0.361
MAR-TRE-87acfbcc-77
0.347
MAR-TRE-87acfbcc-15
0.343
MAR-TRE-87acfbcc-31
0.342
MAR-TRE-87acfbcc-67
0.333
MAR-TRE-87acfbcc-39
0.329
MAR-TRE-87acfbcc-30
0.328
MAR-TRE-87acfbcc-13
0.328
MAR-TRE-87acfbcc-23
0.316
MAR-TRE-87acfbcc-79
0.308
MAR-TRE-87acfbcc-16
0.306
MAR-TRE-87acfbcc-66
0.306
MAR-TRE-87acfbcc-3
0.305
MAR-TRE-87acfbcc-48
0.304
MAR-TRE-87acfbcc-97
0.303
MAR-TRE-87acfbcc-47
0.300
MAR-TRE-87acfbcc-62
0.300
MAR-TRE-87acfbcc-36
0.299
MAR-TRE-87acfbcc-41
0.299
MAR-TRE-87acfbcc-64
0.297
MAR-TRE-87acfbcc-38
0.294
MAR-TRE-87acfbcc-95
0.289
MAR-TRE-87acfbcc-49
0.286
MAR-TRE-87acfbcc-20
0.286
MAR-TRE-87acfbcc-7
0.286
MAR-TRE-87acfbcc-2
0.284
MAR-TRE-87acfbcc-99
0.282
MAR-TRE-87acfbcc-8
0.282
MAR-TRE-87acfbcc-11
0.282
MAR-TRE-87acfbcc-9
0.280
MAR-TRE-87acfbcc-87
0.280
MAR-TRE-87acfbcc-52
0.280
MAR-TRE-87acfbcc-21
0.274
MAR-TRE-87acfbcc-96
0.273
MAR-TRE-87acfbcc-91
0.271
MAR-TRE-87acfbcc-40
0.271
MAR-TRE-87acfbcc-55
0.268
MAR-TRE-87acfbcc-22
0.263
MAR-TRE-87acfbcc-5
0.263
MAR-TRE-87acfbcc-35
0.260
MAR-TRE-87acfbcc-65
0.259
MAR-TRE-423310b6-26
0.257
MAR-TRE-87acfbcc-50
0.257
MAR-TRE-87acfbcc-46
0.257
MAR-TRE-87acfbcc-17
0.256
MAR-TRE-87acfbcc-90
0.254
MAR-TRE-423310b6-14
0.253
MAR-TRE-87acfbcc-25
0.253
MAR-TRE-87acfbcc-81
0.253
MAR-TRE-87acfbcc-58
0.250
MAR-TRE-aca67d11-64
0.250
MAR-TRE-87acfbcc-4
0.250
MAR-TRE-87acfbcc-28
0.250
MAR-TRE-a78003aa-22
0.250
MAR-TRE-be9ff7d2-36
0.250
MAR-TRE-87acfbcc-61
0.250
MAR-TRE-87acfbcc-59
0.247
MAR-TRE-87acfbcc-72
0.247
MAR-TRE-87acfbcc-71
0.247
MAR-TRE-87acfbcc-10
0.244
MAR-TRE-87acfbcc-60
0.244
MAR-TRE-87acfbcc-63
0.244
MAR-TRE-87acfbcc-19
0.241
MAR-TRE-87acfbcc-51
0.237
MAR-TRE-87acfbcc-94
0.237
MAR-TRE-87acfbcc-85
0.237
MAR-TRE-8a25d817-7
0.237
MAR-TRE-8a25d817-27
0.236
MAR-TRE-87acfbcc-53
0.235
MAR-TRE-87acfbcc-14
0.234
MAR-TRE-a78003aa-80
0.234
MAR-TRE-423310b6-57
0.233
MAR-TRE-87acfbcc-37
0.233
MAR-TRE-87acfbcc-29
0.233
MAR-TRE-8a25d817-51
0.232
MAR-TRE-e82e6c98-1
0.232
MAR-TRE-a78003aa-10
0.231
MAR-TRE-e82e6c98-46
0.230
MAR-TRE-87acfbcc-56
0.230
MAR-TRE-8a25d817-30
0.230
MAR-TRE-8a25d817-64
0.229
MAR-TRE-423310b6-56
0.228
PET-SGC-cb62ec31-1
0.228
MAR-TRE-87acfbcc-33
0.227
MAR-TRE-a78003aa-33
0.227
MAR-TRE-87acfbcc-100
0.227
MAR-TRE-85681e92-55
0.225
MAR-TRE-8a25d817-5
0.225