Molecular Properties | |
SMILES: | O=C(NC1=COCc2ccccc21)[C@@H]1CCNc2cc(Cl)c(Cl)cc21 |
MW: | 374.06 |
Fraction sp3: | 0.21 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 50.36 |
cLogP: | 4.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAV-ILL-03f0d021-1
0.484
EDJ-MED-ee742daa-2
0.467
ALP-UNI-8d415491-1
0.467
MAT-POS-f9802937-8
0.458
DAV-ILL-89eb723b-1
0.458
BEN-DND-02317c5c-5
0.458
MAT-POS-78e1d523-6
0.458
MAT-POS-78e1d523-5
0.458
MAT-POS-500f4700-2
0.458
ALP-UNI-3735e77e-4
0.458
MAT-POS-f9802937-9
0.458
ALP-UNI-8d415491-2
0.439
DAR-DIA-06c53477-1
0.439
DAR-DIA-06c53477-2
0.439
DAR-DIA-06c53477-3
0.439
ALP-UNI-8d415491-3
0.438
ALP-UNI-8d415491-6
0.430
MAT-POS-ec6d90b7-5
0.430
EDJ-MED-611d11e7-5
0.430
EDJ-MED-611d11e7-11
0.429
ALP-UNI-8d415491-4
0.429
ALF-EVA-82cf4849-10
0.427
BEN-DND-f06bfa8e-6
0.424
ALF-EVA-82cf4849-9
0.423
ALF-EVA-b701bd13-1
0.417
ALF-EVA-82cf4849-7
0.417
EDJ-MED-611d11e7-2
0.413
ALP-UNI-8d415491-5
0.413
MAT-POS-96f51285-6
0.413
MAT-POS-ec6d90b7-6
0.413
EDJ-MED-611d11e7-8
0.413
BEN-DND-f06bfa8e-1
0.412
ALF-EVA-82cf4849-6
0.408
ALF-EVA-b701bd13-2
0.404
ALF-EVA-b701bd13-5
0.379
ALF-EVA-82cf4849-2
0.355
ALF-EVA-82cf4849-1
0.352
ALP-POS-fe871b40-10
0.349
BEN-DND-02317c5c-7
0.349
ALP-UNI-ba800595-2
0.349
ALF-EVA-b701bd13-4
0.317
BEN-DND-d1eb1f41-5
0.306
BEN-DND-02317c5c-6
0.294
EDJ-MED-92e193ae-1
0.294
EDJ-MED-92e193ae-2
0.294
ALP-POS-477dc5b7-2
0.294
MIC-UNK-91acba05-5
0.294
EDG-MED-fe7487f8-4
0.288
DAR-DIA-06c53477-4
0.288
DAR-DIA-06c53477-5
0.288
DAR-DIA-06c53477-6
0.288
ALF-EVA-b701bd13-6
0.288
BEN-DND-d1eb1f41-1
0.283
PET-UNK-b1ef24dc-9
0.282
PET-UNK-b1ef24dc-11
0.282
PET-UNK-b1ef24dc-10
0.279
ALF-EVA-a24cc7ce-3
0.275
BEN-DND-d1eb1f41-2
0.274
VLA-UNK-8e76d113-2
0.272
MAR-TRE-92684b97-61
0.270
PET-UNK-b1ef24dc-12
0.268
PET-UNK-7f7e354d-2
0.265
PET-UNK-e274cad4-9
0.265
BEN-DND-d1eb1f41-10
0.265
VLA-UNK-8e76d113-1
0.265
MAT-POS-86c60949-2
0.265
PET-UNK-e274cad4-4
0.263
ALF-EVA-82cf4849-5
0.263
ALP-UNI-ba800595-1
0.261
MIC-UNK-8758c41d-3
0.259
VLA-UNK-56836b69-1
0.259
ALP-POS-fe871b40-16
0.259
ALF-EVA-b701bd13-3
0.259
BEN-DND-d1eb1f41-3
0.256
ALP-POS-fe871b40-2
0.250
DAR-DIA-0587064e-11
0.250
DAR-DIA-0587064e-18
0.250
MIC-UNK-5b1ead09-5
0.248
DAR-DIA-0587064e-23
0.246
ROB-UNI-611831f5-2
0.246
ALP-POS-fe871b40-6
0.246
MIC-UNK-8758c41d-2
0.239
DAR-DIA-0587064e-25
0.238
FRA-DIA-b66f7109-4
0.238
DAR-DIA-0587064e-13
0.238
DAR-DIA-0587064e-14
0.238
JUL-TUD-06b2044f-2
0.236
DAR-DIA-0587064e-16
0.234
BEN-DND-a02b439d-7
0.232
RAL-THA-05e671eb-2
0.230
ALP-POS-869ac754-1
0.230
RYA-UNI-6d7114fd-1
0.230
VLA-UNK-56836b69-4
0.230
BEN-DND-a02b439d-6
0.230
BEN-DND-a02b439d-14
0.230
BEN-DND-34fc7f90-1
0.230
BEN-DND-34fc7f90-7
0.230
DAR-DIA-0587064e-27
0.229
MIC-UNK-8758c41d-1
0.228
BEN-DND-02317c5c-2
0.228