Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)CN(C)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 |
MW: | 371.828 |
Fraction sp3: | 0.17 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 104.11 |
cLogP: | 2.69852 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
GAB-REV-70cc3ca5-7
0.457
GAB-REV-70cc3ca5-19
0.415
GAB-REV-70cc3ca5-1
0.414
TRY-UNI-714a760b-6
0.414
EDG-MED-0da5ad92-8
0.402
TRY-UNI-2eddb1ff-2
0.402
RAL-THA-6b94ceba-6
0.402
GAB-REV-70cc3ca5-10
0.398
MAK-UNK-6ca90168-26
0.397
ALP-POS-f13221e1-4
0.396
VLA-UCB-00f2c2b3-2
0.394
BAR-COM-0f94fc3d-41
0.389
PET-SGC-6e7c5dc0-1
0.388
JAG-UCB-cedd89ab-8
0.386
TRY-UNI-714a760b-12
0.386
MAT-POS-590ac91e-11
0.386
ANN-UNI-98d2bf15-2
0.380
EDG-MED-0da5ad92-3
0.378
EDG-MED-0da5ad92-7
0.378
MAT-POS-c9973a83-1
0.372
WIL-MOD-03b86a88-3
0.371
ALE-HEI-f28a35b5-12
0.369
WIL-MOD-03b86a88-6
0.367
EDJ-MED-e58735b6-2
0.367
ASH-SAT-43770c7d-9
0.366
NAU-LAT-0543f7f2-2
0.365
RAL-THA-6b94ceba-13
0.365
MAK-UNK-f203cb68-3
0.364
NAU-LAT-0543f7f2-6
0.364
WIL-MOD-03b86a88-4
0.363
ALP-POS-95b75b4d-1
0.363
EDG-MED-0da5ad92-19
0.363
RAL-THA-6b94ceba-15
0.361
VLA-UCB-00f2c2b3-1
0.361
MAT-POS-e501d84c-1
0.360
MAT-POS-590ac91e-24
0.360
EDJ-MED-c9f55a56-1
0.360
ALE-HEI-f28a35b5-10
0.360
NAU-LAT-0543f7f2-8
0.359
BEN-DND-6de5dfa0-3
0.359
NAU-LAT-3f5f3993-5
0.359
BEN-DND-09b88bf4-3
0.359
GAB-REV-70cc3ca5-18
0.357
RAL-THA-6b94ceba-14
0.357
WIL-MOD-03b86a88-5
0.357
MAT-POS-590ac91e-15
0.356
ANN-UNI-98d2bf15-1
0.356
JOH-UNI-abfda500-6
0.356
EDJ-MED-e58735b6-1
0.355
ANN-UNI-98d2bf15-5
0.354
RAL-THA-6b94ceba-8
0.354
NAU-LAT-0543f7f2-7
0.354
ENA-ENA-cf881d10-1
0.353
NAU-LAT-0543f7f2-5
0.353
RAL-THA-6b94ceba-10
0.353
BAR-COM-0f94fc3d-48
0.352
JAN-GHE-83b26c96-13
0.352
ALP-POS-95b75b4d-2
0.352
BEN-DND-93268d01-13
0.352
EDG-MED-0da5ad92-5
0.351
RAL-THA-6b94ceba-7
0.351
GAB-REV-70cc3ca5-9
0.351
RAL-THA-6b94ceba-9
0.350
NAU-LAT-30527ac5-2
0.350
MAK-UNK-6ca90168-27
0.350
WIL-MOD-03b86a88-2
0.350
GAB-REV-70cc3ca5-8
0.350
GAB-REV-70cc3ca5-22
0.350
MAT-POS-044491d2-7
0.350
MAT-POS-044491d2-6
0.349
MAT-POS-590ac91e-23
0.348
GAB-REV-70cc3ca5-21
0.348
ALE-HEI-f28a35b5-3
0.348
JAN-GHE-83b26c96-12
0.348
JAN-GHE-83b26c96-20
0.347
EDG-MED-0da5ad92-11
0.347
BEN-DND-93268d01-6
0.347
DAR-DIA-0cde14eb-77
0.347
RAL-THA-6b94ceba-5
0.347
RAL-THA-6b94ceba-11
0.347
GAB-REV-70cc3ca5-12
0.347
NAU-LAT-0543f7f2-1
0.346
MAT-POS-044491d2-3
0.346
JAN-GHE-83b26c96-11
0.345
TRY-UNI-714a760b-5
0.345
MAT-POS-590ac91e-10
0.344
JAN-GHE-83b26c96-22
0.344
EDG-MED-0da5ad92-10
0.344
BEN-DND-6de5dfa0-15
0.344
JAN-GHE-83b26c96-10
0.344
DAR-DIA-0cde14eb-79
0.344
EDJ-MED-e58735b6-3
0.344
RAL-THA-6b94ceba-12
0.343
RAL-THA-6b94ceba-16
0.343
MAK-UNK-f203cb68-15
0.343
WIL-MOD-03b86a88-1
0.343
TRY-UNI-2eddb1ff-7
0.343
DAR-DIA-23e5a6a0-27
0.343
DAR-DIA-23e5a6a0-28
0.342
MAT-POS-590ac91e-6
0.341