Molecular Properties | |
SMILES: | O=C(Cc1cncc2ccncc12)Nc1cccc(Cl)c1 |
MW: | 297.07 |
Fraction sp3: | 0.06 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 54.88 |
cLogP: | 3.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
BEN-DND-61647d40-15
0.691
PET-UNK-8922bd3c-1
0.681
BEN-DND-61647d40-6
0.566
EDJ-MED-49816e9b-1
0.557
MIC-UNK-66895286-5
0.494
MAT-POS-f7918075-5
0.481
MIC-UNK-66895286-3
0.479
MIC-UNK-66895286-2
0.472
DAR-DIA-23aa0b97-12
0.468
MIC-UNK-66895286-4
0.461
ERI-UCB-ce40166b-4
0.460
DAR-DIA-23aa0b97-19
0.451
ERI-UCB-ce40166b-1
0.429
ERI-UCB-ce40166b-8
0.429
DAR-DIA-23aa0b97-20
0.427
ERI-UCB-ce40166b-3
0.419
DAR-DIA-6a49afbe-1
0.402
JOR-UNI-2fc98d0b-7
0.397
JAN-GHE-83b26c96-19
0.397
DAR-DIA-23aa0b97-14
0.397
WAR-XCH-eb7b662f-7
0.397
ERI-UCB-ce40166b-2
0.396
ERI-UCB-ce40166b-7
0.388
MAT-POS-6344a35d-1
0.388
EDG-MED-0da5ad92-2
0.382
VLA-UNK-82501c2c-2
0.381
ERI-UCB-ce40166b-5
0.378
EDJ-MED-c8e7a002-16
0.376
NAU-LAT-4ce8bf23-1
0.376
BEN-DND-61647d40-19
0.375
BEN-DND-61647d40-13
0.373
BEN-DND-61647d40-11
0.373
JIN-POS-6dc588a4-1
0.373
BEN-DND-02317c5c-11
0.373
BEN-DND-61647d40-5
0.372
BEN-DND-61647d40-20
0.372
DAR-DIA-23aa0b97-18
0.371
MAT-POS-bb423b95-1
0.369
JAG-UCB-cedd89ab-8
0.367
TRY-UNI-714a760b-12
0.367
DAR-DIA-23aa0b97-13
0.364
NAU-LAT-4ce8bf23-3
0.363
JAG-UCB-252a2f58-1
0.362
JIN-POS-6dc588a4-3
0.361
ALP-POS-f13221e1-3
0.360
JAG-UCB-77729364-1
0.359
ADA-UCB-6c2cb422-1
0.357
NAU-LAT-2fed8305-8
0.357
MAT-POS-90fd5f68-22
0.356
TRY-UNI-714a760b-9
0.354
ERI-UCB-ce40166b-12
0.354
ALP-POS-76eab5ce-2
0.353
ERI-UCB-ce40166b-6
0.353
NAU-LAT-a5c7d7cb-8
0.352
EDG-MED-0da5ad92-12
0.350
MAR-TRE-d0525fbf-58
0.347
JAN-GHE-5a013bed-8
0.346
DAR-DIA-6a49afbe-2
0.344
MAT-POS-90fd5f68-19
0.344
MAR-TRE-3e4e6814-83
0.343
NAU-LAT-3f5f3993-7
0.341
DAR-DIA-6a49afbe-7
0.341
DAR-DIA-6a49afbe-8
0.341
JAN-GHE-d851b096-2
0.341
MAT-POS-c0609ef7-1
0.341
MAT-POS-90fd5f68-25
0.341
PET-UNK-d899bab6-1
0.341
DAR-DIA-6a49afbe-12
0.340
JAN-GHE-5a013bed-9
0.338
ALP-POS-95b75b4d-8
0.338
SAM-UNK-2684b532-13
0.338
JOH-UNI-abfda500-5
0.337
ANN-UNI-98d2bf15-3
0.337
BEN-DND-61647d40-12
0.337
MAT-POS-3b92565d-14
0.337
RAL-THA-2d450e86-34
0.337
MAT-POS-bfb445d4-1
0.337
BEN-DND-02317c5c-12
0.337
MAT-POS-90fd5f68-40
0.337
RUB-POS-1325a9ea-4
0.337
BAR-COM-4e090d3a-66
0.337
JAN-GHE-d851b096-9
0.337
MIC-UNK-d36ab305-3
0.337
JAN-LUN-8953ce76-6
0.333
JAN-LUN-3e0f9c09-1
0.333
MAT-POS-90fd5f68-37
0.333
JIN-POS-6dc588a4-6
0.333
MAT-POS-c20a539d-7
0.333
ALP-POS-95b75b4d-6
0.333
PET-UNK-e274cad4-6
0.333
DAR-DIA-23aa0b97-16
0.333
MAT-POS-90fd5f68-35
0.330
EDJ-MED-00c1612e-1
0.330
PET-UNK-8df914d1-1
0.330
BEN-DND-61647d40-14
0.330
SAM-UNK-2684b532-11
0.329
ALP-POS-f13221e1-4
0.329
MAT-POS-bb423b95-5
0.329
TRY-UNI-714a760b-6
0.329
MIC-UNK-66895286-1
0.329