Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CN(C(=O)C2CCCN2)Cc2ccc(Cl)cc21 |
MW: | 434.15 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 74.33 |
cLogP: | 3.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-dd3ad2b5-4
MAT-POS-4223bc15-17
0.763
MAT-POS-dd3ad2b5-3
0.713
PET-UNK-9b23ef84-2
0.713
MAT-POS-4223bc15-19
0.713
MAT-POS-dd3ad2b5-2
0.713
RAL-THA-6e4c80cf-1
0.713
ALF-EVA-0e90125c-2
0.706
MAT-POS-4223bc15-18
0.698
MAT-POS-dd3ad2b5-5
0.691
MAT-POS-4223bc15-35
0.677
MAT-POS-4223bc15-41
0.673
RAL-THA-6e4c80cf-2
0.670
MAT-POS-4223bc15-20
0.670
MAT-POS-4223bc15-37
0.670
MAT-POS-4223bc15-33
0.663
MAT-POS-4223bc15-40
0.648
MAT-POS-4223bc15-21
0.646
EDJ-MED-c40d95bc-2
0.646
MAT-POS-4223bc15-36
0.644
BEN-DND-f2e727cd-6
0.639
MAT-POS-dd3ad2b5-1
0.639
MAT-POS-be048f2c-1
0.639
MAT-POS-be048f2c-3
0.639
MAT-POS-4223bc15-38
0.638
MAT-POS-4223bc15-39
0.636
MAT-POS-4223bc15-25
0.630
MAT-POS-24589f88-2
0.626
MAT-POS-24589f88-3
0.626
MAT-POS-dd3ad2b5-4
0.626
MAT-POS-4223bc15-3
0.624
MAT-POS-4223bc15-22
0.621
VLA-UNK-5b0345c3-2
0.620
MAT-POS-be048f2c-2
0.618
MAT-POS-4223bc15-23
0.618
MAT-POS-4223bc15-26
0.618
MAT-POS-4223bc15-27
0.618
MIC-UNK-482af05e-2
0.618
MAT-POS-8293a91a-4
0.618
MAT-POS-8293a91a-5
0.618
PET-UNK-162c14b2-1
0.614
MAT-POS-61f37a1a-12
0.614
EDJ-MED-12c4873b-7
0.613
RAL-THA-952697e1-1
0.613
RAL-THA-952697e1-2
0.613
MAT-POS-be048f2c-4
0.613
BRU-THA-98e973b9-1
0.612
MAT-POS-4223bc15-13
0.612
DAR-DIA-d8bd013f-1
0.610
MAT-POS-5cd9ea36-4
0.610
MAT-POS-5cd9ea36-14
0.610
DAR-DIA-d8bd013f-3
0.610
RAL-THA-6e4c80cf-4
0.609
EDJ-MED-e9a22d5d-1
0.608
MAT-POS-4223bc15-6
0.608
MAT-POS-4223bc15-1
0.608
MAT-POS-777f5926-2
0.607
EDJ-MED-12c4873b-5
0.607
RAL-THA-952697e1-3
0.607
RAL-THA-952697e1-4
0.607
MAT-POS-4223bc15-24
0.606
BEN-DND-32596b04-7
0.606
MIC-UNK-482af05e-1
0.606
EDJ-MED-1981ceba-2
0.606
MAT-POS-4223bc15-9
0.604
MAT-POS-61f37a1a-2
0.604
MAT-POS-5cd9ea36-3
0.604
MAT-POS-5cd9ea36-13
0.604
MAT-POS-5cd9ea36-20
0.604
JOH-UNI-ededfdb6-1
0.604
MAT-POS-4223bc15-2
0.602
RAL-THA-ee48ba5f-5
0.602
PET-UNK-d61f3ea6-2
0.602
EDJ-MED-12c4873b-3
0.602
MAT-POS-5cd9ea36-2
0.600
MAT-POS-4223bc15-15
0.600
RAL-THA-6e4c80cf-3
0.598
PET-UNK-615ad708-5
0.598
PET-UNK-ff046148-1
0.598
MAT-POS-5cd9ea36-15
0.598
PET-UNK-615ad708-2
0.598
XIA-UNK-284f966f-1
0.596
PET-UNK-94036022-1
0.596
PET-UNK-94036022-8
0.596
RAL-THA-ee48ba5f-4
0.596
BRU-THA-d60fe444-1
0.596
EDJ-MED-76744c27-3
0.594
PET-UNK-d61f3ea6-1
0.594
CLI-TLC-3a13eaf2-1
0.590
MAT-POS-4223bc15-32
0.589
MAT-POS-5cd9ea36-19
0.589
MAT-UNK-f490e871-1
0.589
MAT-POS-4223bc15-8
0.587
MAT-POS-4223bc15-30
0.587
PET-UNK-5ba9a1cb-3
0.587
EDJ-MED-c82a5324-2
0.587
BEN-DND-32596b04-1
0.587
VLA-UNK-5b0345c3-1
0.586
MAT-POS-4223bc15-5
0.585
MAT-POS-4223bc15-7
0.585
MAT-POS-4223bc15-28
0.585