Molecular Properties | |
SMILES: | O=C(CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1)NC1COC1 |
MW: | 450.15 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 83.56 |
cLogP: | 2.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Oxetanes, thietanes
MAT-POS-4223bc15-23
MAT-POS-5cd9ea36-13
0.859
MAT-POS-8293a91a-4
0.785
MAT-POS-4223bc15-23
0.785
MAT-POS-8293a91a-5
0.785
MAT-POS-4223bc15-21
0.763
MAT-POS-4223bc15-25
0.763
EDJ-MED-c40d95bc-2
0.763
MAT-POS-4223bc15-22
0.750
JOH-UNI-ededfdb6-1
0.745
MAT-POS-5cd9ea36-15
0.737
MAT-POS-4223bc15-24
0.732
EDJ-MED-c82a5324-3
0.723
NIR-WEI-dcc3321b-6
0.716
EDJ-MED-e9a22d5d-1
0.701
MAT-UNK-f490e871-1
0.693
EDJ-MED-ede277f6-7
0.692
PET-UNK-162c14b2-1
0.691
MAT-POS-61f37a1a-12
0.691
MAT-UNK-35705829-1
0.683
MIC-UNK-482af05e-1
0.680
EDJ-MED-c40d95bc-1
0.679
MIC-UNK-482af05e-2
0.677
MAT-POS-4223bc15-27
0.677
MAT-POS-4223bc15-26
0.677
RAL-THA-ee48ba5f-5
0.677
EDJ-MED-0186a59b-2
0.670
RAL-THA-ee48ba5f-4
0.670
EDJ-MED-7889e8da-3
0.670
EDJ-MED-fa7708b3-1
0.667
RAL-THA-ee48ba5f-1
0.667
NIR-WEI-dcc3321b-5
0.661
MAT-POS-4223bc15-28
0.657
EDJ-MED-ede277f6-8
0.651
EDJ-MED-43f8f7d6-6
0.651
NIR-WEI-dcc3321b-2
0.647
MAT-UNK-04ae9652-1
0.644
RAL-THA-ee48ba5f-2
0.644
ALF-EVA-0e90125c-9
0.642
MAT-POS-4223bc15-7
0.641
NIR-WEI-dcc3321b-1
0.640
BEN-DND-f06bfa8e-2
0.638
ALP-POS-6f6ae286-5
0.638
EDJ-MED-7889e8da-1
0.638
EDJ-MED-0186a59b-1
0.638
RAL-THA-6e4c80cf-1
0.636
MAT-POS-4223bc15-19
0.636
EDJ-MED-fa7708b3-2
0.636
NIR-WEI-dcc3321b-4
0.635
MAT-POS-dd3ad2b5-1
0.633
BEN-DND-f2e727cd-6
0.633
RAL-THA-ee48ba5f-6
0.632
CLI-TLC-36f34aa2-1
0.632
RAL-THA-ee48ba5f-3
0.630
PET-UNK-5ba9a1cb-3
0.626
PET-UNK-5ba9a1cb-2
0.626
NIR-WEI-dcc3321b-3
0.624
MAT-POS-4223bc15-18
0.624
PET-UNK-5ba9a1cb-1
0.620
MAT-POS-24589f88-3
0.620
MAT-POS-dd3ad2b5-2
0.620
MAT-POS-dd3ad2b5-3
0.620
MAT-POS-dd3ad2b5-4
0.620
PET-UNK-9b23ef84-2
0.620
MAT-POS-24589f88-2
0.620
MAT-POS-b4d6b7fc-1
0.618
EDJ-MED-54fbebd8-3
0.618
MAT-POS-4223bc15-6
0.618
MAT-POS-4223bc15-20
0.615
RAL-THA-6e4c80cf-2
0.615
EDJ-MED-fa7708b3-3
0.615
PET-UNK-d61f3ea6-2
0.612
EDJ-MED-12c4873b-3
0.612
MAT-POS-4223bc15-13
0.606
BRU-THA-98e973b9-1
0.606
MAT-POS-4223bc15-35
0.606
BRU-THA-d60fe444-1
0.606
EDJ-MED-7889e8da-5
0.606
EDJ-MED-0186a59b-3
0.606
MAT-POS-97ec4bd1-3
0.606
MAT-POS-dd3ad2b5-5
0.602
MAT-POS-4223bc15-3
0.602
MAT-POS-4223bc15-1
0.602
MAT-POS-4223bc15-17
0.602
CLI-TLC-3a13eaf2-1
0.600
PET-UNK-af70882d-3
0.598
MAT-POS-4223bc15-8
0.596
MAT-POS-4223bc15-2
0.596
ALP-POS-1460fd94-1
0.595
JOH-SUS-07b743f6-3
0.595
MAT-POS-2e8b2191-10
0.595
EDJ-MED-ede277f6-4
0.595
MAT-POS-5cd9ea36-17
0.594
MAT-POS-4223bc15-5
0.594
MAT-POS-4223bc15-33
0.594
MAT-POS-5cd9ea36-2
0.594
DAR-DIA-d8bd013f-4
0.593
EDJ-MED-c82a5324-1
0.593
MAT-POS-4223bc15-34
0.593
MAT-POS-4223bc15-36
0.593
PET-UNK-9b23ef84-14
0.593