Molecular Properties | |
SMILES: | CN(c1cccc(Cl)c1)c1c(Nc2cncc3ccccc23)c(=O)c1=O |
MW: | 363.08 |
Fraction sp3: | 0.05 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 62.3 |
cLogP: | 4.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
diketo group
1,2-Diimines, 1,2-diketones and their thio- and phospho-analogues
DAR-DIA-2964957d-1
0.537
FRA-DIA-13af2da5-1
0.446
MIC-UNK-d36ab305-5
0.446
MIC-UNK-cdc2493e-11
0.432
MIC-UNK-cdc2493e-19
0.432
MIC-UNK-cdc2493e-12
0.423
MIC-UNK-bcd487e9-10
0.423
MIC-UNK-d36ab305-2
0.421
MIC-UNK-cdc2493e-20
0.418
MIC-UNK-cdc2493e-24
0.418
MIC-UNK-cdc2493e-3
0.417
MIC-UNK-bcd487e9-1
0.415
MIC-UNK-cdc2493e-18
0.414
MIC-UNK-cdc2493e-17
0.412
MIC-UNK-cdc2493e-21
0.410
MIC-UNK-cdc2493e-6
0.406
MIC-UNK-bcd487e9-7
0.404
MIC-UNK-cdc2493e-16
0.404
MIC-UNK-cdc2493e-23
0.402
MIC-UNK-bcd487e9-3
0.402
MIC-UNK-bcd487e9-5
0.402
MIC-UNK-bcd487e9-4
0.400
MIC-UNK-bcd487e9-9
0.400
MIC-UNK-cdc2493e-1
0.398
MIC-UNK-d36ab305-4
0.398
EDJ-MED-cf4b0d25-4
0.398
ALP-POS-ddb41b15-6
0.398
MIC-UNK-cdc2493e-9
0.396
VLA-UNK-9a7dc93f-7
0.396
MIC-UNK-cdc2493e-4
0.394
MIC-UNK-bcd487e9-2
0.394
MIC-UNK-cdc2493e-5
0.394
ALP-POS-f13221e1-3
0.393
NAU-LAT-2fed8305-1
0.393
MIC-UNK-cdc2493e-2
0.392
MIC-UNK-cdc2493e-10
0.392
MIC-UNK-cdc2493e-22
0.392
ADA-UCB-6c2cb422-1
0.391
MIC-UNK-bcd487e9-8
0.390
EDJ-MED-c314995a-1
0.390
VLA-UCB-05e51b3f-14
0.390
PET-UNK-a17c93d1-1
0.388
VLA-UCB-34f3ed0c-5
0.388
ADA-UCB-dc2b944c-18
0.388
ALP-POS-76eab5ce-1
0.386
MIC-UNK-bcd487e9-6
0.386
ALP-POS-f13221e1-2
0.385
VLA-UCB-34f3ed0c-6
0.382
VLA-UCB-34f3ed0c-13
0.382
MIC-UNK-cdc2493e-8
0.381
MIC-UNK-cdc2493e-13
0.381
MIC-UNK-cdc2493e-15
0.379
MIC-UNK-5a93dd5f-6
0.379
VLA-UCB-34f3ed0c-7
0.379
NAU-LAT-2fed8305-7
0.376
MIC-UNK-5a93dd5f-8
0.376
MIC-UNK-cdc2493e-7
0.375
MIC-UNK-cdc2493e-14
0.374
MAT-POS-bb423b95-7
0.374
NAU-LAT-2fed8305-2
0.370
BEN-DND-d1eb1f41-6
0.368
ADA-UCB-dc2b944c-6
0.368
NIR-THE-590dedc7-1
0.367
MIC-UNK-5a93dd5f-10
0.367
NAU-LAT-a5c7d7cb-2
0.367
MIC-UNK-6ab519a7-1
0.367
MAK-UNK-ffc90da7-7
0.366
MIC-UNK-5a93dd5f-9
0.365
RAL-THA-2d450e86-27
0.363
LON-WEI-9739a092-8
0.362
JOH-UNI-ee5ed7c8-6
0.361
JOH-UNI-3fc3434e-6
0.361
RYA-UNI-14580791-1
0.360
MIC-UNK-d36ab305-1
0.360
ALP-POS-d7944b10-7
0.359
BEN-DND-d1eb1f41-4
0.358
RAL-THA-2d450e86-29
0.358
MAT-POS-bbbbc21a-1
0.358
MAT-POS-3b92565d-1
0.358
JOH-UNI-ee5ed7c8-7
0.354
JOH-UNI-3fc3434e-7
0.354
MIC-UNK-d36ab305-6
0.354
MAT-POS-fce787c2-2
0.352
MIC-UNK-5a93dd5f-7
0.352
RAL-THA-2d450e86-22
0.351
MIC-UNK-df9dcda8-4
0.351
MIC-UNK-df9dcda8-2
0.350
MIC-UNK-c66144cb-2
0.350
PET-UNK-1320d94d-22
0.349
PET-UNK-1320d94d-21
0.349
RAL-THA-5e0a6f1a-1
0.349
EDJ-MED-cf4b0d25-5
0.349
RAL-THA-2d450e86-20
0.348
RAL-THA-2d450e86-25
0.348
PET-UNK-dd44aeb6-1
0.348
PET-UNK-dd44aeb6-2
0.348
MAT-POS-afd4d4fd-1
0.348
RAL-THA-2d450e86-24
0.348
RAL-THA-2d450e86-18
0.347
ALP-POS-3b848b35-1
0.347