Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@@H]1CN(c2ncno2)Cc2ccc(Cl)cc21 |
MW: | 405.1 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 84.15 |
cLogP: | 4.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-9b23ef84-6
0.735
PET-UNK-9b23ef84-10
0.730
DAR-DIA-4987d2cd-2
0.687
PET-UNK-9b23ef84-14
0.683
MAT-POS-4223bc15-32
0.673
MAT-POS-4223bc15-34
0.667
MAT-POS-dd3ad2b5-1
0.663
BEN-DND-f2e727cd-6
0.663
DAR-DIA-4987d2cd-1
0.657
PET-UNK-d61f3ea6-2
0.640
PET-UNK-162c14b2-1
0.636
MAT-POS-61f37a1a-12
0.636
MAT-POS-24589f88-2
0.633
MAT-POS-dd3ad2b5-2
0.633
MAT-POS-dd3ad2b5-4
0.633
RAL-THA-6e4c80cf-1
0.633
MAT-POS-dd3ad2b5-3
0.633
PET-UNK-9b23ef84-2
0.633
MAT-POS-4223bc15-19
0.633
MAT-POS-24589f88-3
0.633
MAT-POS-4223bc15-17
0.630
EDJ-MED-e9a22d5d-1
0.630
MAT-POS-4223bc15-26
0.624
MAT-POS-4223bc15-7
0.621
MAT-POS-4223bc15-18
0.620
MAT-POS-4223bc15-21
0.620
EDJ-MED-c40d95bc-2
0.620
MAT-POS-4223bc15-25
0.620
MAT-POS-5cd9ea36-24
0.615
MAT-POS-dd3ad2b5-5
0.614
MAT-POS-4223bc15-3
0.614
MAT-POS-4223bc15-1
0.614
MAT-POS-4223bc15-6
0.614
MAT-POS-4223bc15-38
0.613
CLI-TLC-3a13eaf2-1
0.612
MIC-UNK-482af05e-1
0.612
MAT-POS-8293a91a-5
0.608
MAT-POS-4223bc15-2
0.608
MAT-POS-4223bc15-23
0.608
MAT-POS-4223bc15-27
0.608
MIC-UNK-482af05e-2
0.608
EDJ-MED-12c4873b-3
0.608
MAT-POS-8293a91a-4
0.608
RAL-THA-ee48ba5f-5
0.608
PET-UNK-5ba9a1cb-2
0.607
MAT-POS-4223bc15-33
0.606
PET-UNK-d61f3ea6-3
0.604
BRU-THA-d60fe444-1
0.602
RAL-THA-ee48ba5f-4
0.602
MAT-POS-4223bc15-13
0.602
MAT-POS-4223bc15-35
0.602
BRU-THA-98e973b9-1
0.602
EDJ-MED-fa7708b3-2
0.602
PET-UNK-d61f3ea6-1
0.600
MAT-UNK-35705829-1
0.600
EDJ-MED-12c4873b-1
0.600
EDJ-MED-fa7708b3-1
0.600
RAL-THA-ee48ba5f-1
0.600
EDJ-MED-76744c27-6
0.598
MAT-POS-dc2604c4-4
0.598
EDJ-MED-1981ceba-2
0.596
MAT-POS-4223bc15-20
0.596
RAL-THA-6e4c80cf-2
0.596
MAT-POS-4223bc15-22
0.596
MAT-POS-4223bc15-24
0.596
BEN-DND-32596b04-7
0.596
MAT-UNK-f490e871-1
0.594
PET-UNK-af70882d-3
0.594
MAT-POS-5cd9ea36-3
0.594
PET-UNK-5ba9a1cb-3
0.593
ALF-EVA-0e90125c-5
0.593
ALF-EVA-0e90125c-9
0.593
JOH-SUS-07b743f6-5
0.593
MAT-POS-4223bc15-28
0.590
MAT-POS-4223bc15-5
0.590
MAT-POS-4223bc15-15
0.590
MAT-POS-5cd9ea36-2
0.590
MAT-POS-5cd9ea36-17
0.590
MAT-POS-4223bc15-36
0.589
ALF-EVA-07677224-3
0.589
MAT-POS-5cd9ea36-15
0.589
MAT-POS-5cd9ea36-16
0.589
EDJ-MED-12c4873b-7
0.589
RAL-THA-952697e1-1
0.589
RAL-THA-952697e1-2
0.589
ALF-EVA-0e90125c-8
0.587
JOH-SUS-07b743f6-6
0.587
ALF-EVA-07677224-4
0.587
JOH-SUS-07b743f6-4
0.587
BEN-DND-32596b04-4
0.586
DAR-DIA-d8bd013f-1
0.585
MAT-POS-4223bc15-29
0.585
MAT-POS-4223bc15-41
0.585
MAT-POS-5cd9ea36-14
0.585
DAR-DIA-d8bd013f-3
0.585
EDJ-MED-76744c27-3
0.585
MAT-POS-5cd9ea36-4
0.585
EDJ-MED-1981ceba-1
0.583
EDJ-MED-1981ceba-3
0.583
RAL-THA-ee48ba5f-6
0.583