Molecular Properties | |
SMILES: | Nc1c(N2Cc3ccc(Cl)cc3C2C(=O)Nc2cncc3ccccc23)c(=O)c1=O |
MW: | 418.08 |
Fraction sp3: | 0.09 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 105.39 |
cLogP: | 2.77 |
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-4
0.807
DAR-DIA-4987d2cd-1
0.624
ALP-POS-d054b76b-2
0.604
MAT-POS-fb82b63d-3
0.583
EDJ-MED-2791eece-2
0.571
EDJ-MED-b774e9fe-1
0.571
EDJ-MED-2791eece-1
0.564
ALP-POS-d054b76b-4
0.557
EDJ-MED-036ae2e9-5
0.556
BRU-THA-98e973b9-1
0.553
MAT-POS-dd3ad2b5-4
0.550
MAT-POS-24589f88-2
0.550
EDJ-MED-2791eece-6
0.550
EDJ-MED-b774e9fe-2
0.550
EDJ-MED-036ae2e9-1
0.550
MAT-POS-24589f88-3
0.550
EDJ-MED-b774e9fe-3
0.549
EDJ-MED-2791eece-8
0.549
EDJ-MED-2791eece-12
0.545
MAT-POS-4223bc15-2
0.544
EDJ-MED-2791eece-11
0.544
DAR-DIA-4987d2cd-2
0.543
ANN-CHE-e1757302-5
0.541
MAT-POS-4223bc15-25
0.539
EDJ-MED-036ae2e9-2
0.539
BRU-THA-d60fe444-1
0.538
EDJ-MED-2791eece-5
0.538
MAT-POS-4223bc15-19
0.535
MAT-POS-dd3ad2b5-2
0.535
RAL-THA-6e4c80cf-1
0.535
MAT-POS-dd3ad2b5-3
0.535
PET-UNK-9b23ef84-2
0.535
MAT-POS-4223bc15-3
0.534
EDJ-MED-e9a22d5d-1
0.534
MAT-POS-4223bc15-6
0.534
MAT-POS-fb82b63d-4
0.534
EDJ-MED-2791eece-10
0.534
EDJ-MED-036ae2e9-3
0.534
MAT-POS-4223bc15-1
0.534
EDJ-MED-1981ceba-2
0.533
BEN-DND-32596b04-7
0.533
EDJ-MED-036ae2e9-10
0.533
EDJ-MED-487c5e9f-9
0.533
EDJ-MED-2791eece-4
0.533
BEN-DND-f2e727cd-6
0.530
MAT-POS-dd3ad2b5-1
0.530
MAT-POS-4223bc15-26
0.529
MIC-UNK-482af05e-2
0.529
RAL-THA-ee48ba5f-5
0.529
PET-UNK-d61f3ea6-2
0.529
MAT-POS-5cd9ea36-2
0.528
EDJ-MED-036ae2e9-7
0.528
EDJ-MED-2791eece-7
0.528
EDJ-MED-c40d95bc-2
0.524
MAT-POS-4223bc15-21
0.524
PET-UNK-162c14b2-1
0.524
MAT-POS-61f37a1a-12
0.524
MAT-POS-4223bc15-13
0.524
RAL-THA-ee48ba5f-4
0.524
PET-UNK-d61f3ea6-1
0.523
MAT-POS-4223bc15-29
0.523
EDJ-MED-76744c27-3
0.523
EDJ-MED-036ae2e9-6
0.523
EDJ-MED-036ae2e9-8
0.523
EDJ-MED-487c5e9f-4
0.523
RAL-THA-6e4c80cf-2
0.519
MAT-POS-4223bc15-20
0.519
MAT-POS-4223bc15-24
0.519
EDJ-MED-036ae2e9-9
0.519
MIC-UNK-482af05e-1
0.519
CLI-TLC-3a13eaf2-1
0.519
EDJ-MED-76744c27-5
0.519
MAT-POS-5cd9ea36-3
0.519
EDJ-MED-036ae2e9-4
0.519
EDJ-MED-487c5e9f-6
0.518
MAT-POS-4223bc15-23
0.514
MAT-POS-4223bc15-27
0.514
MAT-POS-8293a91a-4
0.514
MAT-POS-8293a91a-5
0.514
MAT-POS-5cd9ea36-17
0.514
MAT-POS-4223bc15-15
0.514
MAT-POS-4223bc15-5
0.514
MAT-POS-4223bc15-7
0.514
EDJ-MED-2791eece-3
0.514
EDJ-MED-1981ceba-4
0.514
PET-UNK-d61f3ea6-3
0.514
MAT-POS-5cd9ea36-15
0.514
ALF-EVA-07677224-3
0.514
EDJ-MED-4fff0a85-4
0.514
MAT-POS-bf364d7a-3
0.514
MAT-POS-bf364d7a-4
0.514
MAT-POS-4223bc15-18
0.510
MAT-POS-5cd9ea36-24
0.509
RAL-THA-ee48ba5f-1
0.509
EDJ-MED-fa7708b3-1
0.509
MAT-POS-5cd9ea36-4
0.509
MAT-UNK-35705829-1
0.509
PET-UNK-de87a406-1
0.509
BEN-DND-32596b04-2
0.509
EDJ-MED-1981ceba-1
0.509