Molecular Properties | |
SMILES: | O=c1[nH]c2cccnc2c(=O)n1Cc1ccncc1 |
MW: | 254.08 |
Fraction sp3: | 0.08 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 80.64 |
cLogP: | 0.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8565223295 |
MolPort: | MolPort-019-955-633 |
Filter82_pyridinium
MAR-TRE-4b834d9a-44
0.619
MAR-TRE-7f7bb9f0-35
0.585
MAR-TRE-7f7bb9f0-100
0.500
MAR-TRE-3e4e6814-24
0.456
MAR-TRE-3e4e6814-99
0.446
MAR-TRE-4b834d9a-80
0.402
MAR-TRE-9c797165-19
0.397
MAR-TRE-d0525fbf-86
0.390
MAR-TRE-7f7bb9f0-10
0.386
MAR-TRE-74c6519b-94
0.386
MAR-TRE-4b834d9a-52
0.367
MAR-TRE-b77b7921-50
0.356
MAR-TRE-d0525fbf-1
0.355
MAR-TRE-b77b7921-36
0.352
MAR-TRE-3e4e6814-48
0.352
MAR-TRE-7f7bb9f0-77
0.352
MAR-TRE-4b834d9a-81
0.348
MAR-TRE-7f7bb9f0-52
0.341
MAR-TRE-74c6519b-31
0.340
MAR-TRE-3e4e6814-11
0.340
MAR-TRE-74c6519b-74
0.337
MAR-TRE-d0525fbf-29
0.337
MAR-TRE-74c6519b-28
0.333
MAR-TRE-d0525fbf-47
0.333
MAR-TRE-d0525fbf-42
0.330
MAR-TRE-d0525fbf-58
0.330
MAR-TRE-3e4e6814-32
0.330
MAR-TRE-d0525fbf-48
0.326
MAR-TRE-74c6519b-32
0.326
MAR-TRE-3e4e6814-29
0.326
MAR-TRE-7f7bb9f0-24
0.326
MAR-TRE-74c6519b-33
0.323
MAR-TRE-d0525fbf-27
0.323
MAR-TRE-74c6519b-15
0.323
MAR-TRE-d0525fbf-56
0.320
MAR-TRE-74c6519b-37
0.320
MAR-TRE-7f7bb9f0-40
0.320
MAR-TRE-b77b7921-49
0.314
MAR-TRE-b77b7921-76
0.314
MAR-TRE-04c86cea-50
0.313
MAR-TRE-74c6519b-23
0.305
MAR-TRE-f6f5f473-86
0.299
MAR-TRE-b77b7921-62
0.297
MAR-TRE-74c6519b-83
0.286
MAR-TRE-b77b7921-33
0.286
MAR-TRE-f6f5f473-49
0.286
MAR-TRE-b77b7921-51
0.283
MAR-TRE-b77b7921-32
0.283
MAR-TRE-4b834d9a-34
0.281
MAR-TRE-d0525fbf-73
0.276
MAR-TRE-04c86cea-61
0.274
MAR-TRE-f6f5f473-11
0.274
MAR-TRE-d0525fbf-18
0.272
MAR-TRE-d0525fbf-67
0.272
MAR-TRE-d0525fbf-16
0.272
MAR-TRE-04c86cea-26
0.272
MAR-TRE-b77b7921-41
0.269
MAR-TRE-b77b7921-14
0.268
MAR-TRE-4b834d9a-72
0.268
MAT-POS-ea426761-72
0.267
MAR-TRE-f6f5f473-1
0.267
MAR-TRE-d0525fbf-59
0.267
MAR-TRE-4b834d9a-19
0.267
MAR-TRE-74c6519b-80
0.264
DRR-IMP-38dce17f-6
0.264
MAR-TRE-f6f5f473-7
0.263
MAR-TRE-04c86cea-2
0.263
MAR-TRE-3e4e6814-83
0.262
MAR-TRE-d0525fbf-46
0.261
MAR-TRE-3e4e6814-42
0.261
MAR-TRE-b77b7921-79
0.257
MAR-TRE-4b834d9a-50
0.255
MAR-TRE-b77b7921-1
0.255
MAR-TRE-b77b7921-13
0.255
MAR-TRE-3e4e6814-30
0.255
MAR-TRE-74c6519b-2
0.255
MAR-TRE-74c6519b-99
0.255
MAR-TRE-d0525fbf-34
0.253
MAR-TRE-3e4e6814-77
0.253
MAR-TRE-b77b7921-46
0.253
MAR-TRE-04c86cea-30
0.250
MAR-TRE-d0525fbf-17
0.250
MAR-TRE-3e4e6814-91
0.250
MAR-TRE-74c6519b-20
0.250
MAR-TRE-04c86cea-8
0.250
MAR-TRE-04c86cea-42
0.250
MAR-TRE-04c86cea-92
0.250
MAR-TRE-f6f5f473-21
0.250
MAR-TRE-74c6519b-38
0.250
MAR-TRE-b77b7921-86
0.250
MAR-TRE-b77b7921-60
0.248
MAR-TRE-d0525fbf-20
0.248
MAR-TRE-04c86cea-23
0.248
MAR-TRE-4b834d9a-41
0.248
NIM-UNI-7f77122c-1
0.247
MAR-TRE-74c6519b-34
0.245
MAR-TRE-d0525fbf-60
0.245
MAR-TRE-74c6519b-1
0.245
MAR-TRE-b77b7921-25
0.245
MAR-TRE-b77b7921-12
0.245