Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CN(c2c(O)c(=O)c2=O)Cc2ccc(Cl)cc21 |
MW: | 433.08 |
Fraction sp3: | 0.13 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 99.6 |
cLogP: | 2.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
diketo group
1,2-Diimines, 1,2-diketones and their thio- and phospho-analogues
MAT-POS-dd3ad2b5-4
DAR-DIA-4987d2cd-1
0.804
PET-UNK-9b23ef84-6
0.687
PET-UNK-9b23ef84-11
0.687
PET-UNK-9b23ef84-14
0.687
MAT-POS-4223bc15-32
0.677
MAT-POS-4223bc15-34
0.670
MAT-POS-dd3ad2b5-1
0.667
BEN-DND-f2e727cd-6
0.667
MAT-POS-dd3ad2b5-2
0.653
MAT-POS-dd3ad2b5-4
0.653
MAT-POS-4223bc15-19
0.653
RAL-THA-6e4c80cf-1
0.653
MAT-POS-24589f88-2
0.653
MAT-POS-dd3ad2b5-3
0.653
PET-UNK-9b23ef84-2
0.653
MAT-POS-24589f88-3
0.653
MIC-UNK-482af05e-2
0.643
EDJ-MED-c40d95bc-2
0.639
MAT-POS-4223bc15-25
0.639
PET-UNK-162c14b2-1
0.639
MAT-POS-4223bc15-21
0.639
MAT-POS-61f37a1a-12
0.639
MAT-POS-4223bc15-18
0.639
MAT-POS-4223bc15-13
0.636
MAT-POS-4223bc15-1
0.633
MAT-POS-4223bc15-3
0.633
MAT-POS-4223bc15-6
0.633
MAT-POS-4223bc15-17
0.633
MAT-POS-dd3ad2b5-5
0.633
EDJ-MED-e9a22d5d-1
0.633
EDJ-MED-1981ceba-2
0.630
BEN-DND-32596b04-7
0.630
MAT-POS-4223bc15-27
0.626
MAT-POS-4223bc15-2
0.626
MAT-POS-4223bc15-23
0.626
MAT-POS-8293a91a-5
0.626
DAR-DIA-4987d2cd-4
0.626
PET-UNK-d61f3ea6-2
0.626
MAT-POS-4223bc15-26
0.626
RAL-THA-ee48ba5f-5
0.626
EDJ-MED-12c4873b-3
0.626
MAT-POS-8293a91a-4
0.626
PET-UNK-5ba9a1cb-2
0.625
MAT-POS-4223bc15-7
0.624
EDJ-MED-12c4873b-7
0.621
RAL-THA-952697e1-1
0.621
RAL-THA-952697e1-2
0.621
BRU-THA-98e973b9-1
0.620
MAT-POS-4223bc15-35
0.620
RAL-THA-ee48ba5f-4
0.620
BRU-THA-d60fe444-1
0.620
JOH-SUS-07b743f6-4
0.619
MAT-POS-5cd9ea36-14
0.618
MAT-POS-5cd9ea36-24
0.618
EDJ-MED-fa7708b3-1
0.618
PET-UNK-d61f3ea6-1
0.618
DAR-DIA-d8bd013f-1
0.618
DAR-DIA-d8bd013f-3
0.618
RAL-THA-ee48ba5f-1
0.618
EDJ-MED-12c4873b-1
0.618
MAT-POS-4223bc15-24
0.614
MAT-POS-4223bc15-20
0.614
MAT-POS-4223bc15-22
0.614
CLI-TLC-3a13eaf2-1
0.614
RAL-THA-6e4c80cf-2
0.614
MIC-UNK-482af05e-1
0.614
MAT-POS-4223bc15-9
0.612
MAT-POS-61f37a1a-2
0.612
EDJ-MED-76744c27-5
0.612
ALF-EVA-0e90125c-4
0.610
ALF-EVA-0e90125c-9
0.610
MAT-POS-5cd9ea36-2
0.608
MAT-POS-5cd9ea36-17
0.608
MAT-POS-4223bc15-33
0.608
MAT-POS-4223bc15-5
0.608
MAT-POS-4223bc15-15
0.608
MAT-POS-4223bc15-28
0.608
MAT-POS-5cd9ea36-15
0.606
PET-UNK-d61f3ea6-3
0.606
EDJ-MED-1981ceba-4
0.606
ANN-CHE-e1757302-5
0.604
MAT-POS-5cd9ea36-4
0.602
MAT-POS-4223bc15-29
0.602
MAT-POS-4223bc15-41
0.602
MAT-UNK-35705829-1
0.602
EDJ-MED-76744c27-3
0.602
EDJ-MED-12c4873b-5
0.600
EDJ-MED-1981ceba-5
0.600
EDJ-MED-1981ceba-1
0.600
MAT-POS-777f5926-2
0.600
BEN-DND-32596b04-2
0.600
BEN-DND-32596b04-8
0.600
EDJ-MED-1981ceba-3
0.600
RAL-THA-952697e1-4
0.600
CLI-TLC-36f34aa2-1
0.600
RAL-THA-952697e1-3
0.600
MAT-POS-5cd9ea36-3
0.596
MAT-POS-5cd9ea36-13
0.596
MAT-POS-5cd9ea36-19
0.596
MAT-UNK-f490e871-1
0.596