Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)C(=O)c1cccc(Cl)c1 |
MW: | 274.05 |
Fraction sp3: | 0.07 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 59.06 |
cLogP: | 2.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
alpha_dicarbonyl
diketo group
α-Diketones
Filter41_12_dicarbonyl
1,2-dicarbonyl not in ring
Ketone
Oxalyl
AAR-POS-d2a4d1df-24
SAD-SAT-1b030f84-3
0.612
EDG-MED-0da5ad92-19
0.537
EDG-MED-0da5ad92-3
0.537
EDG-MED-0da5ad92-5
0.536
JAG-UCB-cedd89ab-8
0.530
TRY-UNI-714a760b-12
0.530
TRY-UNI-714a760b-6
0.522
TRY-UNI-714a760b-18
0.522
TRY-UNI-2eddb1ff-4
0.522
JAN-GHE-83b26c96-4
0.522
TRY-UNI-2eddb1ff-5
0.522
JAN-GHE-83b26c96-5
0.522
JAN-GHE-83b26c96-9
0.514
ALP-POS-f13221e1-4
0.514
JAN-GHE-83b26c96-22
0.507
EDG-MED-0da5ad92-10
0.507
MAK-UNK-f203cb68-18
0.507
JAN-GHE-83b26c96-10
0.500
JAN-GHE-83b26c96-8
0.500
MAT-POS-1e5f28a7-1
0.493
JAN-GHE-83b26c96-23
0.493
SAM-UNK-2684b532-2
0.486
JAN-GHE-83b26c96-20
0.486
EDG-MED-0da5ad92-11
0.486
MAK-UNK-f203cb68-3
0.481
SAM-UNK-2684b532-1
0.480
EDG-MED-0da5ad92-6
0.478
BAR-COM-0f94fc3d-38
0.473
MAK-UNK-f203cb68-19
0.468
BAR-COM-0f94fc3d-25
0.467
MAK-UNK-6435e6c2-8
0.464
AAR-POS-d2a4d1df-3
0.464
ERI-UCB-5b47150d-4
0.453
TRY-UNI-2eddb1ff-3
0.451
MAK-UNK-f203cb68-1
0.446
SAM-UNK-2684b532-3
0.444
VLA-UCB-05e51b3f-2
0.444
NAU-LAT-a5c7d7cb-3
0.444
TRY-UNI-9f475305-3
0.444
SAM-UNK-2684b532-4
0.444
EDG-MED-0da5ad92-20
0.444
MAK-UNK-6ca90168-26
0.443
CHR-SOS-7098f804-21
0.441
RAL-THA-6b94ceba-6
0.440
ALP-POS-95b75b4d-1
0.431
MAR-TRE-4b834d9a-26
0.429
JAN-GHE-83b26c96-21
0.429
RAL-THA-6b94ceba-7
0.429
MAK-UNK-f203cb68-9
0.427
MAK-UNK-6ca90168-27
0.426
MAT-POS-136e7878-1
0.424
MAK-UNK-f203cb68-16
0.423
TRY-UNI-2eddb1ff-2
0.423
EDG-MED-0da5ad92-8
0.423
ERI-UCB-5b47150d-1
0.422
MAT-POS-590ac91e-1
0.422
ASH-SAT-43770c7d-9
0.422
MAT-POS-590ac91e-2
0.422
SAD-SAT-7d5528d9-7
0.422
ADA-UCB-6c2cb422-9
0.420
MAT-POS-5d20d11c-1
0.418
MAT-POS-590ac91e-16
0.418
SAD-SAT-7d5528d9-4
0.417
EDJ-MED-e58735b6-2
0.417
EDJ-MED-49816e9b-1
0.417
ANN-UNI-98d2bf15-2
0.413
MAK-UNK-f203cb68-4
0.407
MAK-UNK-f203cb68-21
0.407
JAN-GHE-83b26c96-17
0.405
MAT-POS-590ac91e-13
0.403
MAT-POS-c9973a83-1
0.403
MAT-POS-e501d84c-1
0.402
MAK-UNK-f203cb68-22
0.402
DAR-DIA-2964957d-2
0.400
RAL-THA-6b94ceba-14
0.400
TRY-UNI-714a760b-17
0.400
AHN-SAT-202241f6-1
0.400
MAK-UNK-f203cb68-15
0.400
JAN-GHE-83b26c96-13
0.397
ALP-POS-95b75b4d-2
0.397
TRY-UNI-714a760b-4
0.397
ALE-HEI-f28a35b5-1
0.397
MAT-POS-6c3d76b3-1
0.395
MAT-POS-0d6fb2dd-1
0.395
ABI-SAT-4d06482b-1
0.394
MAK-UNK-f203cb68-20
0.393
RAL-THA-6b94ceba-13
0.392
JAN-GHE-83b26c96-12
0.392
SCO-VAN-260d9628-1
0.391
ALE-HEI-f28a35b5-17
0.391
TRY-UNI-714a760b-5
0.391
BAR-COM-0f94fc3d-19
0.390
BEN-DND-93268d01-6
0.390
BEN-DND-93268d01-3
0.389
RIT-AID-a492ba81-1
0.389
MAK-UNK-129dcd6f-9
0.388
BAR-COM-0f94fc3d-41
0.388
RAL-THA-6b94ceba-5
0.388
RAL-THA-6b94ceba-15
0.388
BAR-COM-0f94fc3d-28
0.386