Molecular Properties | |
SMILES: | CC(C)(C)n1ncc2c(=O)n(CCC(=O)Nc3cccnc3)cnc21 |
MW: | 340.16 |
Fraction sp3: | 0.35 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 94.7 |
cLogP: | 1.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2550223429 |
MolPort: | MolPort-005-292-561 |
Filter82_pyridinium
MAR-TRE-3e4e6814-61
0.613
MAR-TRE-9c797165-95
0.539
MAR-TRE-4b834d9a-97
0.500
KEI-TRE-d5e2018a-68
0.471
MAR-TRE-2fd8122f-62
0.467
MAR-TRE-2fd8122f-100
0.448
MAR-TRE-9c797165-60
0.432
MAR-TRE-2fd8122f-80
0.430
MAR-TRE-3e4e6814-100
0.429
ALE-HEI-f28a35b5-14
0.408
MAR-TRE-74c6519b-58
0.404
MAR-TRE-fd17a9b8-39
0.396
MAR-TRE-4b834d9a-82
0.396
MAR-TRE-74c6519b-42
0.396
MAR-TRE-2fd8122f-72
0.385
JOH-IMS-62aeb97d-5
0.384
MAR-TRE-3e4e6814-66
0.383
MAR-TRE-d0525fbf-33
0.381
MAR-TRE-3e4e6814-50
0.379
MAR-TRE-9c797165-57
0.376
MAR-TRE-67513f76-81
0.375
DAR-DIA-842b4336-11
0.373
MAR-TRE-3e4e6814-65
0.372
MAR-TRE-2fd8122f-78
0.372
MAR-TRE-7f7bb9f0-30
0.370
DAR-DIA-842b4336-16
0.369
MAR-TRE-9c797165-31
0.366
MAR-TRE-9c797165-21
0.366
MAR-TRE-67513f76-92
0.366
MAK-UNK-ca11b4f7-1
0.365
LON-WEI-4d77710c-22
0.365
LON-WEI-5e7d1b3e-22
0.365
MAR-TRE-04c86cea-97
0.364
MAR-TRE-67513f76-93
0.360
MAR-TRE-7f7bb9f0-50
0.360
MAR-TRE-67513f76-87
0.360
KEI-TRE-d5e2018a-74
0.355
MAR-TRE-9c797165-48
0.355
MAR-TRE-7f7bb9f0-82
0.354
MAR-TRE-3e4e6814-41
0.354
MAR-TRE-2fd8122f-93
0.354
MAR-TRE-4b834d9a-31
0.352
CHA-MCP-85291e1d-4
0.352
MAR-TRE-3e4e6814-28
0.351
SAN-PRS-52b81272-2
0.350
DAR-DIA-842b4336-10
0.349
MAR-TRE-04c86cea-87
0.348
KEI-TRE-d5e2018a-92
0.347
MAR-TRE-4b834d9a-96
0.347
MAR-TRE-7f7bb9f0-72
0.347
MAR-TRE-b77b7921-78
0.347
MAK-UNK-a7b37c5e-1
0.345
MAK-UNK-c749d764-17
0.345
MAR-TRE-9c797165-52
0.344
MAR-TRE-04c86cea-93
0.344
DAR-DIA-842b4336-2
0.341
MED-UNK-e6e8ef8a-5
0.341
DAR-DIA-842b4336-12
0.341
DAR-DIA-842b4336-13
0.341
MAR-TRE-67513f76-13
0.341
MAR-TRE-3e4e6814-59
0.340
MAR-TRE-b77b7921-80
0.340
MAR-TRE-7f7bb9f0-15
0.340
MAR-TRE-7f7bb9f0-53
0.340
MAR-TRE-04c86cea-5
0.340
MAR-TRE-4b834d9a-74
0.339
MAK-UNK-a7b37c5e-5
0.337
AUS-ARG-7cfdce8f-11
0.337
MED-UNK-e6e8ef8a-3
0.337
MAR-TRE-67513f76-73
0.337
MAR-TRE-2fd8122f-37
0.337
MAR-TRE-b77b7921-91
0.337
DUN-NEW-f8ce3686-9
0.337
DUN-NEW-f8ce3686-8
0.333
MAR-TRE-04c86cea-96
0.333
ALB-THE-e2bfce8e-1
0.333
MAR-TRE-7f7bb9f0-49
0.333
KEI-TRE-d5e2018a-67
0.333
MAR-TRE-74c6519b-81
0.333
MAR-TRE-7f7bb9f0-38
0.330
MAR-TRE-04c86cea-64
0.330
MAR-TRE-2fd8122f-47
0.330
SAD-SAT-689b7d5a-5
0.330
DAR-DIA-842b4336-14
0.330
SAD-SAT-24589cd1-4
0.329
MAR-TRE-04c86cea-71
0.327
MAR-TRE-d0525fbf-64
0.326
MAR-TRE-9c797165-12
0.326
ALE-HEI-f28a35b5-5
0.326
MED-UNK-e6e8ef8a-6
0.326
MAK-UNK-d1e89583-1
0.325
MAK-UNK-a7b37c5e-4
0.325
MAR-TRE-2fd8122f-20
0.324
MAR-TRE-b77b7921-39
0.324
MAR-TRE-2fd8122f-45
0.323
KEI-TRE-d5e2018a-44
0.323
MAR-TRE-9c797165-94
0.323
MAR-TRE-3e4e6814-67
0.323
DAR-DIA-842b4336-15
0.322
WIL-UNI-5578df48-15
0.322