Molecular Properties | |
SMILES: | CC(=O)N1CCN(CC(=O)N(C(=O)Cc2cccc(Cl)c2)c2cnccc2C)CC1 |
MW: | 428.16 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 73.82 |
cLogP: | 2.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
DAR-DIA-076fb6ea-2
0.571
DAR-DIA-56cf811e-2
0.571
JOH-UNI-a38a7bdd-3
0.571
JOH-UNI-a38a7bdd-7
0.549
DAR-DIA-076fb6ea-7
0.545
DAR-DIA-56cf811e-4
0.544
JAN-GHE-83b26c96-15
0.543
EDG-MED-0da5ad92-1
0.543
BAR-COM-ebf5acce-9
0.539
BAR-COM-ebf5acce-1
0.534
DAR-DIA-076fb6ea-14
0.531
DAR-DIA-56cf811e-6
0.527
PET-UNK-bbe8d7ff-1
0.523
DAR-DIA-076fb6ea-4
0.522
DAR-DIA-076fb6ea-13
0.522
JAN-GHE-d851b096-1
0.517
BAR-COM-ebf5acce-2
0.516
BEN-DND-6de5dfa0-17
0.512
PET-UNK-bbe8d7ff-2
0.506
DAR-DIA-076fb6ea-16
0.500
JOH-UNI-a38a7bdd-4
0.500
BAR-COM-ebf5acce-13
0.495
DAR-DIA-076fb6ea-6
0.495
JOH-UNI-a38a7bdd-9
0.489
BAR-COM-ebf5acce-11
0.485
BAR-COM-ebf5acce-14
0.484
BAR-COM-ebf5acce-3
0.484
BAR-COM-ebf5acce-10
0.479
BAR-COM-ebf5acce-15
0.478
BAR-COM-ebf5acce-6
0.473
JOH-UNI-a38a7bdd-8
0.469
BAR-COM-ebf5acce-4
0.463
BAR-COM-ebf5acce-12
0.459
BAR-COM-ebf5acce-7
0.459
DAR-DIA-076fb6ea-10
0.451
BAR-COM-ebf5acce-5
0.449
BAR-COM-ebf5acce-8
0.449
PET-UNK-e8c7a26f-2
0.411
TRY-UNI-714a760b-6
0.398
JAN-GHE-83b26c96-16
0.385
EDG-MED-0da5ad92-6
0.382
PET-UNK-6c2be958-1
0.381
VLA-UCB-05e51b3f-17
0.381
VLA-UCB-05e51b3f-15
0.381
MIC-UNK-67d4a29a-3
0.381
PET-UNK-12d8d43f-2
0.380
BEN-DND-6de5dfa0-27
0.378
BEN-DND-93268d01-8
0.371
EDJ-MED-3c65e9ce-1
0.371
SAM-UNK-2684b532-14
0.368
TRY-UNI-69298daf-1
0.368
NAU-LAT-a5c7d7cb-3
0.366
VLA-UCB-05e51b3f-2
0.366
JOH-UNI-a38a7bdd-5
0.362
EDJ-MED-b24713dc-4
0.357
SAD-SAT-7d5528d9-18
0.357
JOH-UNI-23d9e1b1-1
0.356
JOH-UNI-ee5ed7c8-12
0.355
JOH-UNI-3fc3434e-12
0.355
EDG-MED-0da5ad92-15
0.352
BEN-DND-6de5dfa0-25
0.352
EDJ-MED-6e43a462-5
0.351
SAD-SAT-7d5528d9-7
0.350
MIC-UNK-67d4a29a-1
0.347
MAT-POS-bb423b95-7
0.347
BEN-DND-6de5dfa0-26
0.344
JOH-UNI-abfda500-4
0.344
JOH-UNI-3fc3434e-13
0.343
JOH-UNI-ee5ed7c8-13
0.343
SAD-SAT-7d5528d9-3
0.343
JOH-UNI-50ce7ec3-6
0.340
BEN-DND-1e24cf73-2
0.340
DAR-DIA-56cf811e-1
0.340
VLA-UCB-05e51b3f-16
0.340
DAR-DIA-076fb6ea-1
0.340
JOH-UNI-a38a7bdd-1
0.340
JOH-UNI-a38a7bdd-6
0.339
BEN-DND-6de5dfa0-19
0.337
PET-UNK-8df914d1-3
0.337
PET-UNK-8df914d1-5
0.337
SAM-UNK-2684b532-12
0.337
JIN-POS-6dc588a4-4
0.337
ALP-POS-f13221e1-4
0.337
RUB-POS-1325a9ea-19
0.337
EDJ-MED-6e43a462-6
0.337
MIC-UNK-67d4a29a-2
0.337
DAR-DIA-076fb6ea-12
0.336
MIC-UNK-67d4a29a-4
0.333
DAR-DIA-56cf811e-3
0.333
SAD-SAT-b55127ae-1
0.333
SEL-UNI-8426c22c-4
0.333
JOH-UNI-0e1753c1-2
0.333
DAR-DIA-076fb6ea-8
0.330
SAD-SAT-7d5528d9-13
0.330
TRY-UNI-9f475305-7
0.330
BEN-DND-6de5dfa0-6
0.330
JOH-UNI-abfda500-5
0.330
ANN-UNI-98d2bf15-3
0.330
SAM-UNK-2684b532-13
0.330
ALP-POS-95b75b4d-8
0.330