Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1c2cc(Cl)ccc2CN1c1c(O)c(=O)c1=O |
MW: | 419.07 |
Fraction sp3: | 0.09 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 99.6 |
cLogP: | 2.89 |
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-3
0.807
DAR-DIA-4987d2cd-2
0.626
ALP-POS-d054b76b-2
0.611
MAT-POS-fb82b63d-3
0.573
EDJ-MED-2791eece-1
0.570
EDJ-MED-b774e9fe-1
0.561
EDJ-MED-2791eece-2
0.561
EDJ-MED-2791eece-6
0.556
EDJ-MED-b774e9fe-2
0.556
EDJ-MED-036ae2e9-1
0.556
EDJ-MED-2791eece-8
0.554
EDJ-MED-b774e9fe-3
0.554
EDJ-MED-2791eece-12
0.550
EDJ-MED-2791eece-11
0.549
ALP-POS-d054b76b-4
0.547
EDJ-MED-036ae2e9-5
0.546
EDJ-MED-036ae2e9-2
0.545
BRU-THA-98e973b9-1
0.544
EDJ-MED-2791eece-5
0.544
MAT-POS-24589f88-3
0.540
MAT-POS-dd3ad2b5-4
0.540
MAT-POS-24589f88-2
0.540
MAT-POS-fb82b63d-4
0.539
EDJ-MED-2791eece-10
0.539
EDJ-MED-036ae2e9-3
0.539
EDJ-MED-487c5e9f-9
0.538
EDJ-MED-2791eece-4
0.538
EDJ-MED-1981ceba-2
0.538
BEN-DND-32596b04-7
0.538
DAR-DIA-4987d2cd-1
0.538
BEN-DND-f2e727cd-6
0.535
MAT-POS-dd3ad2b5-1
0.535
MAT-POS-4223bc15-2
0.534
EDJ-MED-036ae2e9-7
0.533
EDJ-MED-2791eece-7
0.533
BRU-THA-d60fe444-1
0.529
EDJ-MED-036ae2e9-6
0.528
PET-UNK-d61f3ea6-1
0.528
MAT-POS-dd3ad2b5-3
0.525
PET-UNK-9b23ef84-2
0.525
MAT-POS-4223bc15-19
0.525
MAT-POS-dd3ad2b5-2
0.525
RAL-THA-6e4c80cf-1
0.525
MAT-POS-4223bc15-1
0.524
MAT-POS-4223bc15-3
0.524
EDJ-MED-e9a22d5d-1
0.524
MAT-POS-4223bc15-6
0.524
EDJ-MED-036ae2e9-10
0.524
CLI-TLC-3a13eaf2-1
0.524
EDJ-MED-036ae2e9-9
0.524
MAT-POS-4223bc15-26
0.519
MIC-UNK-482af05e-2
0.519
PET-UNK-d61f3ea6-2
0.519
EDJ-MED-2791eece-3
0.519
EDJ-MED-1981ceba-4
0.519
DAR-DIA-70d163b2-3
0.515
EDJ-MED-c40d95bc-2
0.515
MAT-POS-4223bc15-25
0.515
MAT-POS-4223bc15-18
0.515
MAT-POS-4223bc15-21
0.515
PET-UNK-162c14b2-1
0.515
MAT-POS-61f37a1a-12
0.515
MAT-POS-4223bc15-13
0.514
BEN-DND-32596b04-2
0.514
EDJ-MED-1981ceba-1
0.514
EDJ-MED-1981ceba-3
0.514
EDJ-MED-1981ceba-5
0.514
BEN-DND-32596b04-8
0.514
MAT-POS-dd3ad2b5-5
0.510
MAT-POS-4223bc15-17
0.510
MAT-POS-4223bc15-24
0.509
MIC-UNK-482af05e-1
0.509
EDJ-MED-036ae2e9-4
0.509
EDJ-MED-76744c27-5
0.509
EDJ-MED-036ae2e9-12
0.509
EDJ-MED-487c5e9f-5
0.509
EDJ-MED-487c5e9f-6
0.509
BEN-DND-32596b04-1
0.509
MAT-POS-4223bc15-11
0.509
PET-UNK-d61f3ea6-4
0.509
EDJ-MED-12c4873b-3
0.505
MAT-POS-4223bc15-23
0.505
MAT-POS-4223bc15-27
0.505
MAT-POS-8293a91a-4
0.505
MAT-POS-8293a91a-5
0.505
RAL-THA-ee48ba5f-5
0.505
MAT-POS-5cd9ea36-17
0.505
MAT-POS-4223bc15-15
0.505
MAT-POS-4223bc15-5
0.505
MAT-POS-4223bc15-7
0.505
MAT-POS-5cd9ea36-2
0.505
EDJ-MED-487c5e9f-7
0.505
EDJ-MED-487c5e9f-10
0.505
PET-UNK-9b23ef84-11
0.505
ALF-EVA-07677224-3
0.505
PET-UNK-d61f3ea6-3
0.505
PET-UNK-af70882d-2
0.505
ANN-CHE-e1757302-5
0.505
EDJ-MED-12c4873b-1
0.500
EDJ-MED-12c4873b-5
0.500