Molecular Properties | |
SMILES: | Nc1c(N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccccc34)C2)c(=O)c1=O |
MW: | 432.1 |
Fraction sp3: | 0.13 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 105.39 |
cLogP: | 2.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
diketo group
1,2-Diimines, 1,2-diketones and their thio- and phospho-analogues
aniline
MAT-POS-dd3ad2b5-4
DAR-DIA-4987d2cd-2
0.804
PET-UNK-9b23ef84-14
0.690
PET-UNK-9b23ef84-6
0.673
MAT-POS-4223bc15-32
0.663
MAT-POS-4223bc15-25
0.660
PET-UNK-9b23ef84-11
0.657
MAT-POS-4223bc15-34
0.657
RAL-THA-6e4c80cf-1
0.656
MAT-POS-dd3ad2b5-3
0.656
MAT-POS-4223bc15-19
0.656
MAT-POS-dd3ad2b5-1
0.653
BEN-DND-f2e727cd-6
0.653
RAL-THA-ee48ba5f-5
0.646
ALF-EVA-0e90125c-9
0.644
EDJ-MED-c40d95bc-2
0.643
PET-UNK-162c14b2-1
0.643
MAT-POS-4223bc15-21
0.643
MAT-POS-61f37a1a-12
0.643
RAL-THA-ee48ba5f-4
0.640
PET-UNK-9b23ef84-2
0.639
MAT-POS-dd3ad2b5-4
0.639
MAT-POS-dd3ad2b5-2
0.639
MAT-POS-24589f88-2
0.639
MAT-POS-24589f88-3
0.639
EDJ-MED-e9a22d5d-1
0.636
MAT-POS-4223bc15-20
0.634
RAL-THA-6e4c80cf-2
0.634
MAT-POS-8293a91a-4
0.630
MAT-POS-4223bc15-23
0.630
MAT-POS-4223bc15-26
0.630
MAT-POS-4223bc15-27
0.630
MIC-UNK-482af05e-2
0.630
MAT-POS-8293a91a-5
0.630
PET-UNK-5ba9a1cb-2
0.629
MAT-POS-4223bc15-18
0.626
MAT-POS-5cd9ea36-15
0.625
DAR-DIA-4987d2cd-3
0.624
MAT-POS-4223bc15-13
0.624
ANN-CHE-e1757302-5
0.623
RAL-THA-ee48ba5f-1
0.621
MAT-UNK-35705829-1
0.621
EDJ-MED-fa7708b3-1
0.621
MAT-POS-4223bc15-1
0.620
MAT-POS-4223bc15-3
0.620
MAT-POS-4223bc15-17
0.620
MAT-POS-dd3ad2b5-5
0.620
MAT-POS-4223bc15-6
0.620
MIC-UNK-482af05e-1
0.618
MAT-POS-4223bc15-24
0.618
MAT-POS-4223bc15-22
0.618
JOH-UNI-ededfdb6-1
0.615
EDJ-MED-12c4873b-3
0.614
PET-UNK-d61f3ea6-2
0.614
MAT-POS-4223bc15-2
0.614
MAT-POS-4223bc15-28
0.612
MAT-POS-4223bc15-7
0.612
BRU-THA-98e973b9-1
0.608
BRU-THA-d60fe444-1
0.608
MAT-POS-4223bc15-35
0.608
EDJ-MED-fa7708b3-2
0.607
MAT-POS-4223bc15-29
0.606
EDJ-MED-76744c27-3
0.606
MAT-POS-5cd9ea36-24
0.606
BEN-DND-32596b04-7
0.602
EDJ-MED-1981ceba-2
0.602
CLI-TLC-3a13eaf2-1
0.602
VLA-UNK-5b0345c3-2
0.602
EDJ-MED-76744c27-5
0.600
MAT-POS-5cd9ea36-13
0.600
MAT-UNK-04ae9652-1
0.600
RAL-THA-ee48ba5f-2
0.600
MAT-POS-4223bc15-9
0.600
MAT-POS-61f37a1a-2
0.600
MAT-UNK-f490e871-1
0.600
ALF-EVA-0e90125c-4
0.598
PET-UNK-5ba9a1cb-3
0.598
MAT-POS-5cd9ea36-2
0.596
MAT-POS-4223bc15-5
0.596
MAT-POS-5cd9ea36-17
0.596
MAT-POS-4223bc15-15
0.596
MAT-POS-4223bc15-33
0.596
RAL-THA-952697e1-1
0.594
RAL-THA-952697e1-2
0.594
EDJ-MED-12c4873b-7
0.594
MAT-POS-4223bc15-36
0.594
PET-UNK-d61f3ea6-3
0.594
PET-UNK-5ba9a1cb-1
0.593
EDJ-MED-4fff0a85-4
0.593
NIR-WEI-dcc3321b-6
0.593
MAT-POS-bf364d7a-3
0.593
MAT-POS-bf364d7a-4
0.593
RAL-THA-6e4c80cf-4
0.591
EDJ-MED-c40d95bc-1
0.591
MAT-POS-5cd9ea36-4
0.590
MAT-POS-5cd9ea36-14
0.590
DAR-DIA-d8bd013f-1
0.590
DAR-DIA-d8bd013f-3
0.590
MAT-POS-4223bc15-41
0.590
EDJ-MED-12c4873b-1
0.590
PET-UNK-d61f3ea6-1
0.590