Molecular Properties | |
SMILES: | Cc1nc2ccccc2n(CC(=O)Nc2cccnc2)c1=O |
MW: | 294.11 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 76.88 |
cLogP: | 1.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1788007294 |
MolPort: | MolPort-021-744-019 |
Filter82_pyridinium
MAR-TRE-4b834d9a-31
0.519
KEI-TRE-d5e2018a-74
0.429
JOH-IMS-62aeb97d-5
0.418
MAR-TRE-2fd8122f-78
0.418
MAR-TRE-3e4e6814-61
0.414
DUN-NEW-f8ce3686-8
0.413
MAR-TRE-a9136c7b-23
0.411
MAR-TRE-67513f76-81
0.409
MAR-TRE-67513f76-55
0.407
KEI-TRE-d5e2018a-45
0.400
MAR-TRE-2fd8122f-43
0.398
MAR-TRE-b77b7921-52
0.398
MAR-TRE-f6f5f473-46
0.398
MAK-UNK-ca11b4f7-1
0.397
MAR-TRE-9c797165-60
0.395
MAR-TRE-67513f76-73
0.395
PAU-UNI-b33c5197-1
0.394
MAR-TRE-b77b7921-91
0.393
MAR-TRE-2fd8122f-54
0.391
MAR-TRE-9c797165-21
0.391
KEI-TRE-d5e2018a-68
0.386
KEI-TRE-d5e2018a-67
0.385
KEI-TRE-d5e2018a-26
0.385
DAR-DIA-842b4336-12
0.385
MAR-TRE-4b834d9a-97
0.385
MAR-TRE-2fd8122f-49
0.382
BAR-COM-4e090d3a-13
0.381
MAR-TRE-67513f76-13
0.381
MAR-TRE-2fd8122f-68
0.379
SAN-PRS-52b81272-2
0.378
MAK-UNK-c749d764-27
0.375
MAR-TRE-3e4e6814-27
0.372
ALE-HEI-f28a35b5-5
0.367
MED-UNK-e6e8ef8a-6
0.367
DAR-DIA-842b4336-11
0.367
MAR-TRE-2fd8122f-91
0.367
MAR-TRE-4b834d9a-45
0.367
KEI-TRE-d5e2018a-37
0.367
MAR-TRE-3e4e6814-65
0.367
CHR-SOS-70e4c98a-6
0.366
ALE-HEI-f28a35b5-14
0.365
NAU-LAT-64f4b287-10
0.365
AUS-ARG-7cfdce8f-11
0.364
MAR-TRE-d0525fbf-64
0.364
MAR-TRE-d0525fbf-45
0.363
MAR-TRE-04c86cea-71
0.363
MAR-TRE-67513f76-22
0.363
MAR-TRE-3e4e6814-66
0.363
MAK-UNK-a7b37c5e-2
0.362
DAR-DIA-842b4336-16
0.362
MAR-TRE-7f7bb9f0-53
0.362
MAR-TRE-7f7bb9f0-49
0.358
MAR-TRE-2fd8122f-63
0.358
DUN-NEW-f8ce3686-9
0.358
MAR-TRE-7f7bb9f0-76
0.358
CHR-SOS-70e4c98a-8
0.357
CHR-SOS-f7373dd1-6
0.356
CHR-SOS-59746812-3
0.356
SAD-SAT-24589cd1-4
0.355
MAR-TRE-2fd8122f-30
0.355
JOH-IMS-62aeb97d-2
0.354
MAK-UNK-a7b37c5e-1
0.354
MAK-UNK-c749d764-17
0.354
MAR-TRE-7f7bb9f0-50
0.354
MAR-TRE-67513f76-93
0.354
CHR-SOS-59746812-1
0.353
MAR-TRE-7f7bb9f0-97
0.352
MAR-TRE-74c6519b-58
0.352
CHR-SOS-59746812-4
0.352
MAR-TRE-9c797165-38
0.352
MAR-TRE-2fd8122f-46
0.351
MAR-TRE-67513f76-69
0.351
MAK-UNK-a7b37c5e-4
0.351
DAR-DIA-842b4336-13
0.350
CHR-SOS-59746812-5
0.349
CHR-SOS-70e4c98a-3
0.349
MAR-TRE-74c6519b-91
0.349
MAR-TRE-74c6519b-17
0.348
MAR-TRE-b77b7921-97
0.348
CHR-SOS-f7373dd1-3
0.348
MAR-TRE-b77b7921-71
0.348
MAR-TRE-3e4e6814-100
0.348
MAR-TRE-f6f5f473-85
0.347
MAR-TRE-9c797165-87
0.347
MAR-TRE-d0525fbf-33
0.347
MAR-TRE-04c86cea-40
0.347
MAK-UNK-a7b37c5e-5
0.346
MED-UNK-e6e8ef8a-3
0.346
CHR-SOS-f7373dd1-4
0.345
CHR-SOS-59746812-2
0.345
MAR-TRE-7f7bb9f0-46
0.345
MAR-TRE-74c6519b-54
0.345
MAR-TRE-2fd8122f-37
0.345
MAR-TRE-9c797165-94
0.345
MAR-TRE-c317dd82-59
0.344
BEN-DND-362d364a-10
0.344
DUN-NEW-f8ce3686-4
0.343
KEI-TRE-d5e2018a-60
0.343
MAK-UNK-ca11b4f7-2
0.343
MAK-UNK-ca11b4f7-3
0.343