Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)Nn1c(=O)[nH]c2ccccc21 |
MW: | 301.06 |
Fraction sp3: | 0.07 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 66.89 |
cLogP: | 2.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Singel acyclic N-N bonds
VLA-UCB-1dbca3b4-2
0.520
JAN-GHE-5a013bed-4
0.452
MAT-POS-bfb445d4-2
0.449
JAN-GHE-5a013bed-2
0.436
JAN-GHE-5a013bed-5
0.435
ROB-UNI-daaf9793-1
0.420
MAT-POS-e1b5ac6b-1
0.420
JAN-GHE-5a013bed-1
0.419
BEN-DND-61647d40-14
0.415
JIN-POS-6dc588a4-5
0.400
JAN-GHE-f4ca5a00-17
0.395
NAU-LAT-a5c7d7cb-11
0.386
JAN-GHE-5a013bed-3
0.381
NAU-LAT-a5c7d7cb-10
0.378
EDJ-MED-c8e7a002-11
0.378
VLA-UNK-411a133b-1
0.377
EDJ-MED-49816e9b-5
0.372
ALP-POS-90e38439-2
0.368
MIC-UNK-42806bd5-1
0.368
PET-UNK-158bee2a-4
0.368
MAT-POS-500ca5bf-2
0.368
MAT-POS-0bc33984-2
0.367
JAN-GHE-f4ca5a00-16
0.366
MIC-UNK-42806bd5-2
0.364
ALP-POS-90e38439-3
0.364
ALP-POS-8b8a49e1-5
0.364
MIC-UNK-fc94cdb5-1
0.364
VLA-UNK-411a133b-2
0.364
JAN-GHE-f4ca5a00-14
0.361
JOH-UNI-6fede743-3
0.361
MAT-POS-bb423b95-6
0.361
JIN-POS-6dc588a4-19
0.361
MIC-UNK-8971c93c-1
0.360
MAT-POS-f7918075-4
0.360
NAM-UNK-f7c77a48-3
0.360
JAN-GHE-5a013bed-9
0.360
NAU-LAT-e1818702-7
0.359
JAG-UCB-a3ef7265-17
0.359
VLA-UNK-4cf5aa07-1
0.358
PET-UNK-158bee2a-1
0.358
EDJ-MED-50fe53e8-3
0.357
JIN-POS-6dc588a4-9
0.357
MIC-UNK-8373f97b-2
0.356
JAN-GHE-5a013bed-7
0.355
NAU-LAT-e1818702-10
0.355
ALP-POS-8b8a49e1-7
0.355
MIC-UNK-13557a72-1
0.354
JAN-GHE-5a013bed-11
0.351
MIC-UNK-66895286-1
0.351
MAT-POS-0c8fa4a7-3
0.349
MIC-UNK-4c7b8ba7-1
0.346
EDG-MED-0da5ad92-18
0.346
ALP-POS-8b8a49e1-8
0.346
VLA-UCB-00f2c2b3-7
0.345
NAU-LAT-a5c7d7cb-12
0.345
BEN-DND-02317c5c-8
0.345
PET-UNK-e44ffd04-1
0.345
RUB-POS-1325a9ea-24
0.345
RUB-POS-1325a9ea-7
0.345
JAN-GHE-5a013bed-6
0.342
PET-UNK-158bee2a-2
0.342
SAM-UNK-2684b532-13
0.342
PET-UNK-8df914d1-4
0.342
ALP-POS-95b75b4d-8
0.342
EDG-MED-0da5ad92-21
0.342
JAG-UCB-a3ef7265-15
0.342
PET-UNK-158bee2a-3
0.342
MAT-POS-0bc33984-1
0.341
RUB-POS-1325a9ea-22
0.341
ALP-POS-90e38439-1
0.341
MAT-POS-4211dce8-1
0.341
VLA-UCB-1dbca3b4-1
0.341
NAU-LAT-a5c7d7cb-13
0.341
RUB-POS-1325a9ea-23
0.341
RUB-POS-1325a9ea-1
0.341
MAT-POS-f7918075-7
0.341
EDJ-MED-49816e9b-3
0.338
EDJ-MED-c292668a-1
0.337
BEN-DND-1e24cf73-3
0.337
BEN-DND-02317c5c-9
0.337
EDJ-MED-50fe53e8-4
0.337
EDJ-MED-c8e7a002-14
0.337
NAU-LAT-a5c7d7cb-14
0.333
ALP-POS-ddb41b15-9
0.333
EDJ-MED-6e43a462-4
0.333
JAN-GHE-5a013bed-8
0.333
ROB-UNI-daaf9793-2
0.333
PET-UNK-8df914d1-5
0.333
PET-UNK-f92d7c0c-5
0.333
EDG-MED-0da5ad92-2
0.333
MIC-UNK-b12b7f76-2
0.333
ALP-POS-8b8a49e1-6
0.333
RUB-POS-1325a9ea-18
0.333
MIC-UNK-d935700b-1
0.333
RUB-POS-1325a9ea-16
0.333
PET-UNK-f92d7c0c-4
0.333
MAT-POS-3b92565d-13
0.330
RUB-POS-1325a9ea-15
0.330
JOH-UNI-6fede743-2
0.330
ALP-POS-3b848b35-3
0.329