Molecular Properties | |
SMILES: | Cc1ccncc1CC(=O)Nc1cc(Cl)cc(C(=O)O)c1 |
MW: | 304.06 |
Fraction sp3: | 0.13 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 79.29 |
cLogP: | 2.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-DND-93268d01-8
NAU-LAT-3f5f3993-6
0.778
NAU-LAT-3f5f3993-7
0.778
EDJ-MED-49816e9b-1
0.597
NAU-LAT-3f5f3993-9
0.447
TRY-UNI-bbd40bb4-2
0.432
ADA-UCB-6c2cb422-3
0.429
MIC-UNK-ea979c74-1
0.400
RAL-THA-6b94ceba-6
0.378
TRY-UNI-2eddb1ff-2
0.377
EDG-MED-0da5ad92-8
0.377
RAL-THA-6b94ceba-7
0.369
RAL-THA-6b94ceba-5
0.365
MIC-UNK-66895286-4
0.362
WIL-MOD-03b86a88-5
0.360
WIL-MOD-03b86a88-6
0.356
MAT-POS-044491d2-4
0.356
MAT-POS-044491d2-2
0.355
TRY-UNI-714a760b-6
0.354
NAU-LAT-0543f7f2-6
0.352
MAT-POS-044491d2-7
0.352
MAT-POS-e501d84c-1
0.348
MAT-POS-044491d2-3
0.348
MAT-POS-c9973a83-1
0.345
RAL-THA-6b94ceba-12
0.345
RAL-THA-6b94ceba-16
0.345
BAR-COM-0f94fc3d-11
0.344
NAU-LAT-0543f7f2-7
0.341
RAL-THA-6b94ceba-8
0.341
RAL-THA-6b94ceba-13
0.337
NAU-LAT-30527ac5-2
0.337
WIL-MOD-03b86a88-2
0.337
MAT-POS-044491d2-6
0.337
RAL-THA-6b94ceba-15
0.333
RAL-THA-6b94ceba-11
0.333
MAT-POS-044491d2-5
0.333
JAN-GHE-83b26c96-12
0.333
MAT-POS-044491d2-1
0.333
MAT-POS-f42f3716-3
0.330
RAL-THA-6b94ceba-14
0.330
WIL-MOD-03b86a88-3
0.330
BEN-DND-61647d40-15
0.329
TRY-UNI-714a760b-5
0.329
MAK-UNK-6ca90168-26
0.329
ENA-ENA-cf881d10-1
0.326
BEN-DND-61647d40-16
0.326
ANN-UNI-98d2bf15-1
0.325
JAG-UCB-cedd89ab-8
0.325
TRY-UNI-714a760b-12
0.325
MIC-UNK-66895286-3
0.325
JOH-UNI-abfda500-6
0.325
MAT-POS-590ac91e-6
0.325
MAT-POS-f42f3716-8
0.323
MAT-POS-f42f3716-1
0.323
RAL-THA-6b94ceba-9
0.322
EDG-MED-0da5ad92-7
0.322
ALP-POS-f13221e1-4
0.321
MAK-UNK-6ca90168-24
0.321
ERI-UCB-ce40166b-8
0.320
MAT-POS-f42f3716-6
0.319
NAU-LAT-0543f7f2-8
0.319
NAU-LAT-0543f7f2-1
0.319
BEN-DND-22e6b372-4
0.317
ALE-HEI-f28a35b5-3
0.316
ASH-SAT-43770c7d-9
0.315
DAR-DIA-03336633-15
0.312
NAU-LAT-0543f7f2-2
0.312
MAK-UNK-c749d764-27
0.312
MAK-UNK-f203cb68-4
0.312
EDJ-MED-c9f55a56-1
0.312
RAL-THA-6b94ceba-10
0.312
NAU-LAT-0543f7f2-5
0.312
ALP-POS-75715966-4
0.312
JAN-GHE-83b26c96-11
0.312
ANN-UNI-98d2bf15-5
0.310
DAR-DIA-0cde14eb-64
0.310
MAT-POS-f42f3716-9
0.310
RAL-THA-6b94ceba-1
0.309
MAT-POS-f42f3716-4
0.309
WIL-MOD-03b86a88-4
0.309
ADA-UCB-6c2cb422-4
0.308
RAL-THA-6b94ceba-2
0.306
ANN-UNI-98d2bf15-2
0.306
ALP-POS-95b75b4d-3
0.306
DAR-DIA-0cde14eb-76
0.306
JAN-GHE-83b26c96-14
0.306
JAN-GHE-83b26c96-23
0.306
JIN-POS-6dc588a4-3
0.306
BAR-COM-0f94fc3d-26
0.305
ALP-POS-95b75b4d-2
0.305
EDJ-MED-e58735b6-2
0.305
JAN-GHE-83b26c96-13
0.305
BAR-COM-0f94fc3d-28
0.304
BAR-COM-0f94fc3d-41
0.303
MAK-UNK-f203cb68-16
0.303
TRY-UNI-714a760b-20
0.302
TRY-UNI-2eddb1ff-7
0.302
BAR-COM-4e090d3a-66
0.302
WIL-MOD-03b86a88-1
0.302
DAR-DIA-23e5a6a0-29
0.302
EDG-MED-0da5ad92-19
0.301