Molecular Properties | |
SMILES: | CN(C)c1ccc2ncc(NC(=O)Cc3cccc(Cl)c3)n2c1 |
MW: | 328.11 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 49.64 |
cLogP: | 3.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-6e43a462-12
0.699
EDJ-MED-6e43a462-9
0.690
EDJ-MED-6e43a462-10
0.685
EDJ-MED-b24713dc-3
0.685
EDJ-MED-6e43a462-8
0.685
EDJ-MED-6e43a462-2
0.658
PET-UNK-8df914d1-2
0.600
EDJ-MED-6e43a462-6
0.584
EDJ-MED-b24713dc-1
0.557
EDJ-MED-6e43a462-5
0.544
EDJ-MED-6e43a462-1
0.530
EDJ-MED-b24713dc-2
0.506
EDJ-MED-6e43a462-4
0.506
EDJ-MED-b24713dc-4
0.494
PET-UNK-8df914d1-4
0.493
EDJ-MED-6e43a462-3
0.482
EDJ-MED-6e43a462-7
0.476
BEN-DND-1e24cf73-3
0.458
CAR-UNK-140e3209-1
0.455
BEN-DND-1e24cf73-5
0.453
PET-UNK-d899bab6-1
0.443
MAT-POS-90fd5f68-7
0.443
MAT-POS-90fd5f68-25
0.443
PET-UNK-8df914d1-5
0.439
BEN-DND-1e24cf73-2
0.437
BEN-DND-1e24cf73-4
0.433
BEN-DND-1e24cf73-1
0.429
EDJ-MED-6e43a462-11
0.425
BEN-DND-1e24cf73-7
0.422
EDG-MED-0da5ad92-13
0.418
PET-UNK-d899bab6-2
0.418
EDJ-MED-49816e9b-3
0.412
BEN-DND-02317c5c-1
0.412
JAN-GHE-5a013bed-8
0.410
JAN-GHE-5a013bed-11
0.410
PET-UNK-8df914d1-3
0.407
BEN-DND-02317c5c-9
0.407
EDJ-MED-50fe53e8-4
0.407
PET-UNK-d899bab6-3
0.407
BEN-DND-1e24cf73-6
0.407
JAN-GHE-5a013bed-10
0.405
VLA-UNK-411a133b-2
0.405
JAN-GHE-5a013bed-6
0.403
JAN-GHE-5a013bed-9
0.403
ABI-SAT-4d06482b-2
0.402
EDJ-MED-c5ca5386-1
0.402
RUB-POS-1325a9ea-3
0.402
MIC-UNK-50cce87d-3
0.402
PET-UNK-158bee2a-3
0.400
JAG-UCB-a3ef7265-15
0.400
JAG-UCB-a3ef7265-17
0.400
EDG-MED-0da5ad92-16
0.400
VLA-UNK-411a133b-1
0.400
NAU-LAT-e1818702-7
0.400
EDJ-MED-49816e9b-2
0.400
EDG-MED-0da5ad92-21
0.400
MAT-POS-90fd5f68-21
0.398
EDG-MED-0da5ad92-17
0.398
TRY-UNI-714a760b-3
0.398
MIC-UNK-51049f1a-6
0.395
EDG-MED-0da5ad92-14
0.395
EDG-MED-0da5ad92-12
0.395
EDJ-MED-49816e9b-5
0.395
MIC-UNK-66895286-1
0.392
PET-UNK-158bee2a-4
0.392
EDG-MED-0da5ad92-2
0.392
PET-UNK-f4e47ebd-2
0.391
PET-UNK-e274cad4-6
0.391
TRY-UNI-714a760b-6
0.390
MAT-POS-90fd5f68-10
0.389
MAT-POS-29385cc1-4
0.389
MIC-UNK-d935700b-1
0.388
JOH-UNI-6fede743-1
0.386
MAT-POS-f7918075-5
0.386
RUB-POS-1325a9ea-2
0.386
EDJ-MED-c8e7a002-7
0.386
MIC-UNK-50cce87d-1
0.386
EDG-MED-0da5ad92-18
0.386
MAT-POS-90fd5f68-28
0.385
PET-UNK-158bee2a-2
0.385
ALP-POS-3b848b35-3
0.384
PET-UNK-e44ffd04-1
0.384
BEN-DND-02317c5c-8
0.384
NAU-LAT-a5c7d7cb-12
0.384
MAT-POS-90fd5f68-3
0.383
ALP-POS-95b75b4d-8
0.383
SAM-UNK-2684b532-13
0.383
MIC-UNK-7574fcc6-1
0.382
RUB-POS-1325a9ea-8
0.382
JAN-GHE-5a013bed-5
0.382
EDJ-MED-239d8ca5-1
0.380
MAT-POS-90fd5f68-22
0.380
NAU-LAT-e1818702-10
0.380
JAN-GHE-5a013bed-7
0.380
JIN-POS-6dc588a4-9
0.379
RUB-POS-1325a9ea-17
0.379
JIN-POS-6dc588a4-7
0.379
MAT-POS-4211dce8-1
0.379
EDJ-MED-50fe53e8-3
0.379
EDJ-MED-6ab52e52-1
0.379