Molecular Properties | |
SMILES: | O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cnn2ccccc12 |
MW: | 319.03 |
Fraction sp3: | 0.07 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 46.4 |
cLogP: | 3.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-8df914d1-2
JIN-POS-6dc588a4-9
0.701
BEN-DND-02317c5c-1
0.462
MAT-POS-23a8a11a-1
0.449
BEN-DND-02317c5c-13
0.425
EDJ-MED-dd2a8363-2
0.418
VLA-UNK-82501c2c-1
0.412
JUL-TUD-06b2044f-13
0.409
VLA-UNK-82501c2c-2
0.402
EDJ-MED-dd2a8363-1
0.398
JUL-TUD-06b2044f-68
0.386
JUL-TUD-06b2044f-96
0.364
RAL-THA-2d450e86-8
0.330
RAL-THA-2d450e86-6
0.330
RAL-THA-2d450e86-9
0.330
DAR-DIA-6a49afbe-9
0.329
EDJ-MED-50fe53e8-3
0.326
JAN-GHE-5a013bed-10
0.312
RAL-THA-901e9a10-8
0.312
MIC-UNK-51049f1a-6
0.310
MIC-UNK-50cce87d-2
0.310
EDJ-MED-6ab52e52-1
0.310
SAM-UNK-2684b532-13
0.309
EDG-MED-0da5ad92-21
0.309
ALP-POS-95b75b4d-8
0.309
JUL-TUD-06b2044f-145
0.305
EDJ-MED-076d6e64-1
0.303
RUB-POS-1325a9ea-15
0.300
RUB-POS-1325a9ea-8
0.300
NAU-LAT-a5c7d7cb-12
0.299
PET-UNK-e44ffd04-1
0.299
BEN-DND-02317c5c-8
0.299
MAT-POS-e69ad64a-3
0.298
RUB-POS-1325a9ea-14
0.297
PET-UNK-e274cad4-1
0.297
PET-UNK-8df914d1-2
0.295
MAT-POS-bb423b95-4
0.295
ALP-POS-95b75b4d-5
0.295
WIL-UNI-d4749f31-10
0.295
EDG-MED-0da5ad92-16
0.293
EDJ-MED-6e43a462-7
0.292
PET-UNK-e274cad4-6
0.292
MAK-UNK-6ca90168-23
0.291
MAT-POS-90fd5f68-19
0.290
ALP-POS-95b75b4d-6
0.289
EDJ-MED-c5ca5386-1
0.289
MIC-UNK-d935700b-2
0.289
JIN-POS-6dc588a4-24
0.289
MAT-POS-bb423b95-5
0.287
MIC-UNK-d935700b-1
0.287
EDJ-MED-239d8ca5-1
0.287
PET-UNK-8df914d1-3
0.286
JIN-POS-6dc588a4-23
0.286
TRY-UNI-714a760b-6
0.286
ADA-UCB-6c2cb422-1
0.284
ALP-POS-95b75b4d-7
0.284
ABI-SAT-4d06482b-2
0.282
JUL-TUD-06b2044f-2
0.281
ALP-POS-f13221e1-1
0.281
MAT-POS-bb423b95-9
0.281
MAT-POS-4211dce8-1
0.281
RUB-POS-1325a9ea-17
0.281
VLA-UNK-b9c208fe-2
0.281
PET-UNK-6314f867-3
0.280
MIC-UNK-f2576da4-1
0.280
TRY-UNI-714a760b-3
0.279
EDG-MED-0da5ad92-17
0.279
JOH-UNI-abfda500-5
0.279
JOH-UNI-abfda500-4
0.279
AGN-NEW-c7b24fe3-4
0.279
ANN-UNI-98d2bf15-3
0.279
JAG-UCB-a3ef7265-5
0.279
MAK-UNK-a7b37c5e-3
0.278
EDJ-MED-239d8ca5-2
0.278
ALP-POS-0c2c77e1-1
0.278
NAU-LAT-a5c7d7cb-11
0.278
BEN-DND-02317c5c-9
0.278
EDJ-MED-50fe53e8-4
0.278
JIN-POS-6dc588a4-13
0.278
PET-UNK-b1ef24dc-1
0.278
MAT-POS-f7918075-6
0.278
EDJ-MED-50fe53e8-2
0.278
MAT-POS-bb423b95-3
0.278
JIN-POS-6dc588a4-22
0.278
EDJ-MED-a364e151-3
0.278
PET-UNK-8df914d1-4
0.277
JOH-UNI-3fc3434e-3
0.277
MAT-POS-90fd5f68-1
0.277
JOH-UNI-ee5ed7c8-3
0.277
RAL-THA-2d450e86-30
0.276
JAN-GHE-5a013bed-9
0.275
RUB-POS-1325a9ea-3
0.275
RUB-POS-1325a9ea-2
0.275
MIC-UNK-50cce87d-1
0.275
EDJ-MED-6e43a462-5
0.275
MIC-UNK-50cce87d-3
0.275
JOH-UNI-6fede743-1
0.275
PET-UNK-b1ef24dc-3
0.275
JIN-POS-6dc588a4-12
0.275
EDG-MED-0da5ad92-14
0.274
EDJ-MED-49816e9b-3
0.274