Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CN(C(=O)CCO)Cc2ccc(Cl)cc21 |
MW: | 409.12 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 82.53 |
cLogP: | 3.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-4223bc15-33
0.800
RAL-THA-6e4c80cf-1
0.761
PET-UNK-9b23ef84-2
0.761
MAT-POS-dd3ad2b5-3
0.761
MAT-POS-4223bc15-19
0.761
MAT-POS-dd3ad2b5-2
0.761
MAT-POS-4223bc15-18
0.744
MAT-POS-4223bc15-17
0.736
MAT-POS-dd3ad2b5-5
0.736
RAL-THA-6e4c80cf-2
0.731
MAT-POS-4223bc15-20
0.731
MAT-POS-4223bc15-36
0.719
MAT-POS-4223bc15-41
0.698
MAT-POS-4223bc15-38
0.694
MAT-POS-24589f88-3
0.685
MAT-POS-dd3ad2b5-4
0.685
MAT-POS-24589f88-2
0.685
MAT-POS-dd3ad2b5-1
0.681
BEN-DND-f2e727cd-6
0.681
ALF-EVA-0e90125c-2
0.680
ALF-EVA-0e90125c-1
0.677
MAT-POS-4223bc15-37
0.677
MIC-UNK-482af05e-2
0.674
VLA-UNK-5b0345c3-2
0.673
MAT-POS-4223bc15-21
0.670
MAT-POS-61f37a1a-12
0.670
PET-UNK-162c14b2-1
0.670
EDJ-MED-c40d95bc-2
0.670
MAT-POS-4223bc15-25
0.670
MAT-POS-4223bc15-5
0.670
MAT-POS-4223bc15-40
0.670
MAT-POS-4223bc15-1
0.663
MAT-POS-4223bc15-6
0.663
EDJ-MED-e9a22d5d-1
0.663
MAT-POS-be048f2c-1
0.660
RAL-THA-6e4c80cf-4
0.660
MIC-UNK-482af05e-1
0.660
MAT-POS-4223bc15-39
0.657
EDJ-MED-12c4873b-3
0.656
MAT-POS-4223bc15-23
0.656
MAT-POS-4223bc15-27
0.656
MAT-POS-8293a91a-4
0.656
RAL-THA-ee48ba5f-5
0.656
MAT-POS-8293a91a-5
0.656
MAT-POS-4223bc15-26
0.656
BRU-THA-d60fe444-1
0.649
RAL-THA-ee48ba5f-4
0.649
RAL-THA-6e4c80cf-3
0.648
MAT-POS-be048f2c-4
0.648
MAT-UNK-35705829-1
0.646
MAT-POS-4223bc15-3
0.646
MAT-POS-be048f2c-3
0.644
MAT-POS-4223bc15-22
0.643
MAT-POS-4223bc15-24
0.643
MAT-POS-4223bc15-2
0.639
PET-UNK-d61f3ea6-2
0.639
MAT-POS-be048f2c-2
0.638
MAT-POS-5cd9ea36-17
0.636
MAT-POS-4223bc15-28
0.636
DAR-DIA-d8bd013f-2
0.634
MAT-POS-5cd9ea36-16
0.634
EDJ-MED-c82a5324-1
0.634
DAR-DIA-d8bd013f-4
0.634
MAT-POS-4223bc15-13
0.633
BRU-THA-98e973b9-1
0.633
MAT-POS-5cd9ea36-23
0.631
RAL-THA-ee48ba5f-1
0.630
EDJ-MED-76744c27-3
0.630
MAT-POS-5cd9ea36-24
0.630
EDJ-MED-fa7708b3-1
0.630
CLI-TLC-3a13eaf2-1
0.626
BEN-DND-32596b04-7
0.626
EDJ-MED-1981ceba-2
0.626
MAT-UNK-04ae9652-1
0.624
MAT-UNK-f490e871-1
0.624
JOH-UNI-ededfdb6-1
0.624
PET-UNK-af70882d-4
0.624
EDJ-MED-76744c27-5
0.624
MAT-POS-5cd9ea36-13
0.624
RAL-THA-ee48ba5f-2
0.624
PET-UNK-af70882d-3
0.624
MAT-POS-5cd9ea36-19
0.624
EDJ-MED-7f6e5b75-1
0.624
ALF-EVA-0e90125c-4
0.621
ALF-EVA-0e90125c-9
0.621
BEN-DND-32596b04-5
0.621
EDJ-MED-c82a5324-3
0.621
PET-UNK-5ba9a1cb-3
0.621
MAT-POS-4223bc15-7
0.620
MAT-POS-4223bc15-15
0.620
DAR-DIA-4987d2cd-2
0.620
MAT-POS-5cd9ea36-2
0.620
PET-UNK-615ad708-2
0.618
MAT-POS-5cd9ea36-15
0.618
PET-UNK-9b23ef84-6
0.618
PET-UNK-615ad708-5
0.618
PET-UNK-af70882d-2
0.618
PET-UNK-ff046148-1
0.618
PET-UNK-94036022-1
0.615
NIR-WEI-dcc3321b-6
0.615