Molecular Properties | |
SMILES: | O/N=C(/Nc1cncc2ccccc12)[C@@H]1CCOc2cc(F)c(Cl)cc21 |
MW: | 371.08 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 66.74 |
cLogP: | 4.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
oxime
imine
imine
oxime
Oxygen-nitrogen single bond
Singel acyclic N-O bonds
acyclic NO not nitro
Nitrosone_not_nitro
BEN-DND-d1eb1f41-13
0.791
BEN-DND-d1eb1f41-18
0.759
MAT-POS-a13804f0-2
0.701
RAL-THA-05e671eb-10
0.701
ALP-POS-d91e0300-1
0.701
MAT-POS-a13804f0-3
0.701
ALP-POS-fe871b40-9
0.701
RAL-THA-05e671eb-11
0.615
ALP-UNI-3735e77e-3
0.615
RAL-THA-05e671eb-2
0.565
RYA-UNI-6d7114fd-1
0.565
ALP-POS-869ac754-1
0.565
MAT-POS-96f51285-5
0.542
MAT-POS-ec6d90b7-7
0.542
EDJ-MED-611d11e7-6
0.542
RAL-THA-05e671eb-9
0.526
EDJ-MED-611d11e7-12
0.520
MAT-POS-a5ef2d74-1
0.520
MAT-POS-ec6d90b7-3
0.520
PET-UNK-f4e47ebd-5
0.520
PET-UNK-03fd2068-2
0.515
RAL-THA-05e671eb-3
0.510
PET-UNK-f4e47ebd-6
0.510
BEN-DND-d1eb1f41-17
0.505
EDJ-MED-611d11e7-3
0.500
MAT-POS-96f51285-3
0.500
EDJ-MED-611d11e7-9
0.500
MAT-POS-96f51285-4
0.500
MAT-POS-b3e365b9-1
0.495
RAL-THA-05e671eb-13
0.495
MAT-POS-f7918075-1
0.495
VLA-UCB-1dbca3b4-15
0.495
MAT-POS-b3e365b9-2
0.495
RAL-THA-05e671eb-28
0.485
RAL-THA-05e671eb-4
0.480
ADA-UCB-dc2b944c-7
0.480
PET-UNK-f4e47ebd-7
0.472
RAL-THA-05e671eb-32
0.469
RAL-THA-05e671eb-33
0.465
RAL-THA-05e671eb-14
0.461
RAL-THA-05e671eb-26
0.460
RAL-THA-05e671eb-27
0.460
RAL-THA-05e671eb-12
0.460
RAL-THA-05e671eb-15
0.460
EDJ-MED-e4b030d8-10
0.460
RAL-THA-05e671eb-5
0.460
ADA-UCB-dc2b944c-5
0.460
PET-UNK-f4e47ebd-8
0.458
PET-UNK-1b92fa34-3
0.456
RAL-THA-05e671eb-29
0.455
EDJ-MED-e4b030d8-8
0.455
BEN-DND-f2e727cd-1
0.455
DAR-DIA-6a508060-8
0.451
ALP-POS-fe871b40-10
0.451
ALP-UNI-ba800595-2
0.451
RAL-THA-05e671eb-17
0.451
RAL-THA-05e671eb-6
0.447
MAT-POS-11b63608-1
0.446
MAT-POS-993cdc78-2
0.443
MAT-POS-993cdc78-1
0.443
ALP-POS-fe871b40-11
0.443
RAL-THA-05e671eb-1
0.443
RAL-THA-05e671eb-30
0.442
RAL-THA-05e671eb-22
0.439
MAT-POS-f7918075-2
0.439
EDJ-MED-12c115cc-1
0.439
RAL-THA-05e671eb-21
0.439
EDJ-MED-12c115cc-2
0.439
MAT-POS-bbbbc21a-2
0.439
RAL-THA-05e671eb-31
0.438
ALF-EVA-5b152d2f-1
0.437
DAR-DIA-6a508060-3
0.437
ALF-EVA-5b152d2f-4
0.437
RAL-THA-05e671eb-7
0.437
EDJ-MED-e4b030d8-9
0.436
ALP-POS-869ac754-2
0.434
ALP-POS-fe871b40-15
0.433
RAL-THA-05e671eb-8
0.433
ALP-POS-c86619f0-1
0.431
ALP-UNI-3735e77e-2
0.431
RAL-THA-05e671eb-16
0.431
ALF-EVA-5b152d2f-6
0.429
VLA-UNK-a5257d84-1
0.429
RAL-THA-05e671eb-35
0.427
ALF-EVA-ced740bd-4
0.424
FRA-DIA-0fa076fe-2
0.424
EDJ-MED-12f7f543-1
0.422
PET-UNK-c0891748-2
0.422
ALP-POS-fe871b40-5
0.422
ROB-UNI-6ee2df8c-1
0.422
RAL-THA-05e671eb-25
0.422
RAL-THA-05e671eb-34
0.422
PET-UNK-c0891748-8
0.422
PET-UNK-9b23ef84-3
0.421
ALP-UNI-4b8a177c-1
0.417
EDJ-MED-015fb6b4-3
0.414
EDJ-MED-cf877e1d-1
0.414
MAT-POS-2e8b2191-3
0.413
ALP-POS-ce760d3f-1
0.413
RAL-THA-05e671eb-36
0.413