Molecular Properties | |
SMILES: | Cc1ccncc1N(C)c1c(Nc2cccc(Cl)c2)c(=O)c1=O |
MW: | 327.08 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 62.3 |
cLogP: | 3.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
diketo group
1,2-Diimines, 1,2-diketones and their thio- and phospho-analogues
DAR-DIA-2964957d-2
0.520
EDG-MED-0da5ad92-1
0.395
JAN-GHE-83b26c96-15
0.395
JAG-UCB-cedd89ab-8
0.358
TRY-UNI-714a760b-12
0.358
DAR-DIA-2964957d-1
0.356
EDJ-MED-49816e9b-1
0.354
PET-UNK-bbe8d7ff-1
0.352
DAR-DIA-56cf811e-2
0.348
DAR-DIA-2964957d-9
0.344
PET-UNK-bbe8d7ff-2
0.337
JAN-GHE-d851b096-1
0.337
BAR-COM-ebf5acce-1
0.337
BAR-COM-ebf5acce-7
0.337
BAR-COM-ebf5acce-12
0.337
DAR-DIA-076fb6ea-2
0.333
DAR-DIA-076fb6ea-4
0.333
JOH-UNI-a38a7bdd-3
0.333
JOH-UNI-a38a7bdd-4
0.333
DAR-DIA-076fb6ea-16
0.333
EDG-MED-0da5ad92-3
0.333
DAR-DIA-2964957d-7
0.333
BAR-COM-ebf5acce-9
0.330
DAR-DIA-2964957d-3
0.326
DAR-DIA-2964957d-5
0.326
BAR-COM-ebf5acce-10
0.323
BAR-COM-ebf5acce-4
0.323
BAR-COM-ebf5acce-3
0.323
DAR-DIA-076fb6ea-13
0.320
DAR-DIA-076fb6ea-6
0.319
DAR-DIA-076fb6ea-7
0.319
BAR-COM-ebf5acce-15
0.319
BAR-COM-ebf5acce-14
0.316
JOH-UNI-a38a7bdd-9
0.316
BAR-COM-ebf5acce-6
0.316
JAN-GHE-83b26c96-21
0.313
BAR-COM-ebf5acce-5
0.313
BAR-COM-ebf5acce-13
0.313
BAR-COM-ebf5acce-2
0.312
ERI-UCB-5b47150d-2
0.312
DAR-DIA-56cf811e-6
0.309
DAR-DIA-56cf811e-4
0.309
BAR-COM-ebf5acce-11
0.307
VLA-UCB-05e51b3f-3
0.307
ALP-POS-f13221e1-4
0.307
EDJ-MED-e66f2cc5-2
0.307
JOH-UNI-a38a7bdd-8
0.303
JOH-UNI-a38a7bdd-7
0.303
EDG-MED-0da5ad92-19
0.302
BAR-COM-ebf5acce-8
0.300
JAN-GHE-83b26c96-19
0.300
JAN-GHE-83b26c96-10
0.300
JOR-UNI-2fc98d0b-7
0.300
DAR-DIA-23aa0b97-14
0.300
WAR-XCH-eb7b662f-7
0.300
JAN-GHE-83b26c96-17
0.299
MAK-UNK-f203cb68-18
0.299
BAR-COM-0f94fc3d-38
0.297
JAN-GHE-83b26c96-5
0.295
TRY-UNI-2eddb1ff-5
0.295
JAN-GHE-83b26c96-4
0.295
TRY-UNI-2eddb1ff-4
0.295
TRY-UNI-714a760b-18
0.295
DAR-DIA-076fb6ea-10
0.295
SAM-UNK-2684b532-2
0.293
JAN-GHE-83b26c96-9
0.292
TRY-UNI-714a760b-6
0.291
MAK-UNK-6ca90168-24
0.291
EDG-MED-0da5ad92-6
0.291
SAM-UNK-2684b532-1
0.290
VLA-UCB-00f2c2b3-5
0.286
MIC-UNK-66895286-2
0.286
EDG-MED-0da5ad92-10
0.284
JAN-GHE-83b26c96-22
0.284
MIC-UNK-66895286-4
0.284
MAT-POS-1e5f28a7-1
0.283
PET-UNK-5eca9d1d-2
0.283
BEN-DND-61647d40-20
0.282
JAN-GHE-83b26c96-25
0.281
JAG-UCB-cedd89ab-1
0.281
SAD-SAT-7d5528d9-4
0.280
BAR-COM-0f94fc3d-25
0.280
WIL-UNI-2e73223c-4
0.278
DAR-DIA-076fb6ea-14
0.278
EDG-MED-0da5ad92-5
0.278
JAN-GHE-83b26c96-23
0.278
ERI-UCB-5b47150d-5
0.277
JAN-GHE-d851b096-2
0.277
SAD-SAT-7d5528d9-13
0.276
SAD-SAT-7d5528d9-12
0.276
JAN-GHE-83b26c96-20
0.275
EDG-MED-0da5ad92-11
0.275
SEL-UNI-8426c22c-4
0.275
DAR-DIA-23aa0b97-13
0.274
EDG-MED-0da5ad92-20
0.273
BEN-DND-61647d40-19
0.273
PET-UNK-5eca9d1d-3
0.272
SEA-TRI-5a552082-1
0.272
ERI-UCB-5b47150d-3
0.272
TRY-UNI-714a760b-9
0.270