Molecular Properties | |
SMILES: | CO[C@@]1(/C(Cc2cncc3ccccc23)=N\CC(F)(F)F)CCOc2ccc(Cl)cc21 |
MW: | 448.12 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 43.71 |
cLogP: | 5.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
imine
Imines
Filter39_imine
acyclic imines
high halogen content (>3)
imines_(not_ring)
PET-UNK-29afea89-2
JOH-UNI-6e27fddc-9
0.824
JOH-UNI-6e27fddc-2
0.590
JOH-UNI-6e27fddc-4
0.539
EDG-MED-0e5afe9d-3
0.534
PET-UNK-29afea89-2
0.534
EDJ-MED-d08626de-2
0.534
EDJ-MED-d08626de-1
0.534
JOH-UNI-6e27fddc-3
0.532
MIC-UNK-ddc6ad53-1
0.519
DAR-DIA-e7614d05-2
0.505
ALP-POS-93b3621f-1
0.505
DAR-DIA-e7614d05-3
0.505
DAR-DIA-e7614d05-1
0.505
MIC-UNK-ddc6ad53-3
0.500
PET-UNK-3bb57da2-3
0.486
PET-UNK-10c83c8b-1
0.486
PET-UNK-824b5c6a-1
0.486
JOH-UNI-99d163e5-8
0.482
MIC-UNK-ddc6ad53-2
0.478
PET-UNK-bcc8fd08-1
0.477
PET-UNK-824b5c6a-2
0.473
JOH-UNI-6e27fddc-5
0.470
PET-UNK-3bb57da2-1
0.469
PET-UNK-824b5c6a-3
0.468
ED_-GRI-5b13fbe2-41
0.465
ED_-GRI-5b13fbe2-40
0.465
ED_-GRI-5b13fbe2-68
0.465
EDG-MED-4c68219f-16
0.465
ED_-GRI-5b13fbe2-72
0.464
RAL-THA-58fba2bc-2
0.464
RAL-THA-58fba2bc-4
0.464
EDG-MED-4c68219f-6
0.464
EDG-MED-4c68219f-10
0.464
EDG-MED-4c68219f-12
0.464
JOH-UNI-99d163e5-4
0.464
MAR-UCB-6ab2ec87-3
0.462
PET-UNK-acd70dee-1
0.461
PET-UNK-3bb57da2-2
0.461
PET-UNK-acd70dee-5
0.461
ALP-POS-93b3621f-3
0.460
ALP-POS-93b3621f-4
0.460
ED_-GRI-5b13fbe2-34
0.460
EDJ-MED-611d11e7-4
0.459
MAT-POS-a5ef2d74-2
0.459
MAT-POS-ec6d90b7-4
0.459
PET-UNK-acd70dee-2
0.458
ED_-GRI-5b13fbe2-42
0.457
PET-UNK-4880b143-1
0.457
ED_-GRI-5b13fbe2-43
0.457
MIC-UNK-5d22d78d-2
0.457
PET-UNK-0cc03aae-1
0.457
PET-UNK-49566573-1
0.457
MIC-UNK-5d22d78d-1
0.456
ED_-GRI-5b13fbe2-47
0.453
PET-UNK-e5587e5d-1
0.453
KAD-UNI-8a629cb0-9
0.451
JOH-UNI-99d163e5-6
0.450
EDG-MED-4c68219f-14
0.450
PET-UNK-0cc03aae-4
0.450
PET-UNK-acd70dee-3
0.449
PET-UNK-5d7c542f-3
0.449
PET-UNK-0cc03aae-5
0.448
PET-UNK-5d7c542f-4
0.448
EDJ-MED-28ec730d-3
0.448
ALP-POS-6f6ae286-3
0.446
PET-UNK-5d7c542f-1
0.446
ED_-GRI-5b13fbe2-13
0.446
CHO-MSK-5891c1ff-9
0.446
ED_-GRI-5b13fbe2-33
0.445
CHO-MSK-5891c1ff-10
0.445
PET-UNK-0cc03aae-3
0.445
PET-UNK-0cc03aae-2
0.445
ED_-GRI-5b13fbe2-29
0.445
ED_-GRI-5b13fbe2-48
0.445
PET-UNK-d9de6a0b-1
0.444
ED_-GRI-5b13fbe2-30
0.444
ED_-GRI-5b13fbe2-70
0.444
ED_-GRI-5b13fbe2-69
0.444
ED_-GRI-5b13fbe2-71
0.444
MIC-UNK-5d22d78d-3
0.444
ED_-GRI-5b13fbe2-44
0.442
CHO-MSK-5891c1ff-8
0.442
PET-UNK-49566573-2
0.442
MIC-UNK-5d22d78d-4
0.441
ED_-GRI-5b13fbe2-39
0.438
MIC-UNK-d58dbb53-1
0.438
PET-UNK-acd70dee-4
0.437
PET-UNK-d9de6a0b-2
0.437
ED_-GRI-5b13fbe2-55
0.437
JOH-UNI-99d163e5-2
0.436
MIK-ENA-fc9ceda2-1
0.435
EDG-MED-4c68219f-7
0.434
EDG-MED-4c68219f-17
0.434
PET-UNK-83d689b6-4
0.434
MAT-POS-96f51285-1
0.434
MAT-POS-24589f88-1
0.434
EDJ-MED-611d11e7-7
0.434
PET-UNK-ee8352fa-1
0.434
EDJ-MED-28ec730d-4
0.433
EDG-MED-4c68219f-15
0.433