Molecular Properties | |
SMILES: | O=C(Cn1ccc2c(cnc3ccnn32)c1=O)Nc1cccnc1 |
MW: | 320.1 |
Fraction sp3: | 0.06 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 94.18 |
cLogP: | 1.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5093233665 |
MolPort: | MolPort-023-295-115 |
Filter82_pyridinium
multiple aromatic rings
MAR-TRE-9c797165-21
0.433
MAR-TRE-9c797165-60
0.422
MAR-TRE-67513f76-55
0.402
DUN-NEW-f8ce3686-8
0.394
MAR-TRE-3e4e6814-65
0.394
KEI-TRE-d5e2018a-74
0.391
MAR-TRE-2fd8122f-68
0.391
MAR-TRE-3e4e6814-61
0.379
KEI-TRE-d5e2018a-37
0.379
MAR-TRE-4b834d9a-45
0.379
MAR-TRE-2fd8122f-91
0.379
MAR-TRE-3e4e6814-66
0.375
DUN-NEW-f8ce3686-4
0.369
MAR-TRE-4b834d9a-63
0.367
MAR-TRE-4b834d9a-97
0.367
MAR-TRE-67513f76-81
0.365
MAR-TRE-2fd8122f-49
0.365
MAR-TRE-2fd8122f-78
0.364
MAR-TRE-2fd8122f-9
0.360
KEI-TRE-d5e2018a-6
0.360
MAR-TRE-7f7bb9f0-84
0.360
MAR-TRE-9c797165-87
0.360
MAR-TRE-4b834d9a-31
0.359
MAK-UNK-ca11b4f7-1
0.355
JOH-IMS-62aeb97d-5
0.355
MAR-TRE-4b834d9a-96
0.354
MAR-TRE-2fd8122f-62
0.354
DAR-DIA-842b4336-14
0.352
MAR-TRE-d0525fbf-64
0.347
ALE-HEI-f28a35b5-14
0.346
MAR-TRE-67513f76-73
0.344
MAR-TRE-b77b7921-91
0.344
MAR-TRE-2fd8122f-54
0.344
MAR-TRE-3e4e6814-27
0.343
KEI-TRE-d5e2018a-60
0.343
SAN-PRS-52b81272-2
0.341
MAR-TRE-3e4e6814-50
0.341
KEI-TRE-d5e2018a-68
0.340
MAR-TRE-7f7bb9f0-72
0.340
SAD-SAT-24589cd1-4
0.337
MAR-TRE-2fd8122f-80
0.337
MAR-TRE-9c797165-95
0.337
MAR-TRE-d0525fbf-33
0.333
MAK-UNK-a7b37c5e-4
0.333
MED-UNK-e6e8ef8a-5
0.333
DAR-DIA-842b4336-11
0.333
DAR-DIA-842b4336-12
0.333
NAU-LAT-64f4b287-10
0.333
MAR-TRE-f5c2d31c-78
0.333
MAR-TRE-9c797165-12
0.333
DAR-DIA-842b4336-13
0.333
MAR-TRE-2fd8122f-100
0.330
MAR-TRE-c317dd82-59
0.330
MAR-TRE-04c86cea-81
0.330
DAR-DIA-842b4336-15
0.330
MED-UNK-e6e8ef8a-2
0.330
DAR-DIA-842b4336-16
0.330
FRA-FAC-9ed5a63a-2
0.330
MAR-TRE-7f7bb9f0-28
0.327
MAR-TRE-04c86cea-95
0.327
MAR-TRE-04c86cea-64
0.324
MAR-TRE-b77b7921-52
0.323
MAR-TRE-f6f5f473-46
0.323
MAR-TRE-2fd8122f-43
0.323
MAR-TRE-04c86cea-93
0.323
KEI-TRE-d5e2018a-45
0.323
MAR-TRE-74c6519b-58
0.323
MAR-TRE-67513f76-87
0.323
MED-UNK-e6e8ef8a-4
0.322
AAR-POS-d2a4d1df-13
0.322
FRA-FAC-9ed5a63a-1
0.322
ALE-HEI-f28a35b5-9
0.322
DAR-DIA-23aa0b97-16
0.322
MAR-TRE-7f7bb9f0-53
0.320
MAR-TRE-3e4e6814-100
0.320
KEI-TRE-d5e2018a-4
0.320
MAR-TRE-2fd8122f-72
0.320
MED-UNK-e6e8ef8a-6
0.318
EDG-MED-0da5ad92-2
0.318
MAR-TRE-2fd8122f-63
0.317
MAR-TRE-04c86cea-51
0.317
BEN-DND-362d364a-10
0.317
MAR-TRE-74c6519b-42
0.316
MAR-TRE-3e4e6814-67
0.316
CHA-MCP-85291e1d-4
0.316
MAR-TRE-9c797165-94
0.316
CHR-SOS-59746812-2
0.315
KAL-WAB-eb347ebe-1
0.315
MED-UNK-e6e8ef8a-3
0.315
MAR-TRE-04c86cea-96
0.314
MAK-UNK-a7b37c5e-5
0.314
AUS-ARG-7cfdce8f-11
0.314
KEI-TRE-d5e2018a-67
0.314
MAR-TRE-04c86cea-41
0.314
KEI-TRE-d5e2018a-26
0.314
TAM-UNI-c140e31a-13
0.314
BEN-DND-362d364a-11
0.314
MAR-TRE-b77b7921-74
0.312
MAR-TRE-04c86cea-97
0.312
CHR-SOS-59746812-6
0.312