Molecular Properties | |
SMILES: | Cc1ccncc1Nc1c(Nc2cccc(Cl)c2)c(=O)c1=O |
MW: | 313.06 |
Fraction sp3: | 0.06 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 71.09 |
cLogP: | 3.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
diketo group
1,2-Diimines, 1,2-diketones and their thio- and phospho-analogues
DAR-DIA-2964957d-1
0.534
DAR-DIA-2964957d-8
0.520
TRY-UNI-714a760b-12
0.486
JAG-UCB-cedd89ab-8
0.486
DAR-DIA-2964957d-3
0.418
ALP-POS-f13221e1-4
0.416
EDG-MED-0da5ad92-3
0.413
JAN-GHE-83b26c96-21
0.411
JAN-GHE-83b26c96-17
0.408
DAR-DIA-2964957d-7
0.407
TRY-UNI-714a760b-6
0.400
MAK-UNK-6ca90168-24
0.400
EDG-MED-0da5ad92-6
0.400
JAN-GHE-83b26c96-9
0.397
EDG-MED-0da5ad92-19
0.395
EDG-MED-0da5ad92-10
0.390
JAN-GHE-83b26c96-22
0.390
MAK-UNK-f203cb68-18
0.390
TRY-UNI-714a760b-18
0.385
JAN-GHE-83b26c96-4
0.385
JAN-GHE-83b26c96-5
0.385
TRY-UNI-2eddb1ff-4
0.385
TRY-UNI-2eddb1ff-5
0.385
BAR-COM-0f94fc3d-38
0.383
EDJ-MED-49816e9b-1
0.382
JAN-GHE-83b26c96-23
0.380
EDG-MED-0da5ad92-5
0.380
BAR-COM-0f94fc3d-25
0.378
EDG-MED-0da5ad92-11
0.375
JAN-GHE-83b26c96-20
0.375
SAM-UNK-2684b532-1
0.373
JAN-GHE-83b26c96-10
0.370
SAD-SAT-7d5528d9-12
0.368
MIH-UNI-3396182e-1
0.366
MAT-POS-1e5f28a7-1
0.366
SAM-UNK-2684b532-2
0.361
JAN-GHE-83b26c96-8
0.357
SAD-SAT-7d5528d9-13
0.352
MAK-UNK-f203cb68-19
0.352
DAR-DIA-2964957d-5
0.349
MAK-UNK-f203cb68-9
0.348
EDG-MED-0da5ad92-20
0.348
MAT-POS-136e7878-1
0.348
MAK-UNK-f203cb68-3
0.345
JAN-GHE-83b26c96-19
0.342
JOR-UNI-2fc98d0b-7
0.342
WAR-XCH-eb7b662f-7
0.342
DAR-DIA-23aa0b97-14
0.342
SAD-SAT-7d5528d9-4
0.341
LON-WEI-af038623-7
0.338
MAR-TRE-4b834d9a-26
0.337
TRY-UNI-9f475305-3
0.333
SAM-UNK-2684b532-3
0.333
MAK-UNK-f203cb68-21
0.333
SAM-UNK-2684b532-4
0.333
DAR-DIA-0cde14eb-6
0.333
VLA-UCB-05e51b3f-2
0.333
NAU-LAT-a5c7d7cb-3
0.333
MAK-UNK-f203cb68-4
0.333
SAD-SAT-7d5528d9-7
0.330
MAT-POS-6c3d76b3-1
0.329
MAT-POS-0d6fb2dd-1
0.329
AAR-POS-d2a4d1df-3
0.328
MAK-UNK-6435e6c2-8
0.328
MAT-POS-044491d2-3
0.326
BAR-COM-0f94fc3d-41
0.326
TRY-UNI-714a760b-4
0.324
ALE-HEI-f28a35b5-1
0.324
ALP-POS-ddb41b15-1
0.324
IND-SYN-2c708b29-2
0.323
MAK-UNK-f203cb68-20
0.323
MAK-UNK-f203cb68-1
0.323
WIL-MOD-03b86a88-5
0.322
MAK-UNK-f203cb68-15
0.322
TRY-UNI-714a760b-9
0.321
ADA-UCB-6c2cb422-9
0.320
MAT-POS-044491d2-2
0.319
MAK-UNK-6ca90168-26
0.319
WIL-MOD-03b86a88-6
0.318
VLA-UCB-1dbca3b4-4
0.318
PET-UNK-94460c07-3
0.318
JAG-UCB-cedd89ab-1
0.317
TRY-UNI-714a760b-24
0.317
TRY-UNI-2eddb1ff-2
0.316
EDG-MED-0da5ad92-8
0.316
MAK-UNK-f203cb68-22
0.316
EDG-MED-0da5ad92-7
0.315
NAU-LAT-30527ac5-2
0.315
NAU-LAT-0543f7f2-6
0.315
EDJ-MED-e66f2cc5-2
0.313
ALP-POS-95b75b4d-2
0.312
JAN-GHE-83b26c96-13
0.312
MAT-POS-044491d2-1
0.312
DAR-DIA-23aa0b97-13
0.312
CHR-SOS-7098f804-21
0.312
MAT-POS-e501d84c-1
0.311
ALP-POS-ddb41b15-2
0.311
MAK-UNK-129dcd6f-9
0.310
BEN-DND-93268d01-6
0.310
BEN-DND-61647d40-19
0.309