Molecular Properties | |
SMILES: | COCCOc1ccc2c(NC(=O)[C@@H]3CN(C)c4ccc(Cl)cc43)cncc2c1 |
MW: | 411.13 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 63.69 |
cLogP: | 4.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
EDJ-MED-12c115cc-1
ERI-UCB-b3e6b0c2-9
0.747
ERI-UCB-b3e6b0c2-12
0.667
ERI-UCB-b3e6b0c2-15
0.657
ERI-UCB-b3e6b0c2-16
0.634
MAR-UCB-6ab2ec87-6
0.628
ERI-UCB-b3e6b0c2-13
0.598
ERI-UCB-b3e6b0c2-3
0.569
ERI-UCB-b3e6b0c2-4
0.513
EDJ-MED-be9e6f63-1
0.513
EDG-MED-f9979214-2
0.509
ALP-POS-6f6ae286-7
0.509
EDJ-MED-378a25ea-29
0.496
RAL-THA-4aa06b95-7
0.477
ERI-UCB-b3e6b0c2-7
0.477
EDG-MED-5d232de5-5
0.476
EDG-MED-5d232de5-6
0.476
RAL-THA-8416115c-2
0.476
MIC-UNK-91acba05-6
0.476
MAR-UCB-6ab2ec87-7
0.467
ERI-UCB-b3e6b0c2-8
0.460
BEN-DND-0ac71396-2
0.455
MAT-POS-4223bc15-28
0.447
ALP-POS-d054b76b-1
0.444
MAT-POS-4223bc15-4
0.441
EDJ-MED-41558c53-9
0.440
PET-UNK-c671f938-6
0.436
RAL-THA-8416115c-3
0.436
PET-UNK-c671f938-2
0.436
EDJ-MED-be9e6f63-4
0.436
EDJ-MED-7889e8da-4
0.436
EDJ-MED-378a25ea-1
0.435
DAR-DIA-0f2f46c9-12
0.435
RAL-THA-4aa06b95-5
0.435
BEN-DND-f06bfa8e-5
0.434
EDJ-MED-b7309adf-2
0.434
EDJ-MED-eb111c00-2
0.431
EDJ-MED-7889e8da-3
0.430
EDJ-MED-0186a59b-2
0.430
MAT-POS-90fd5f68-14
0.430
ALP-POS-1460fd94-1
0.430
RAL-THA-8416115c-4
0.429
EDJ-MED-41558c53-7
0.427
EDJ-MED-41558c53-11
0.425
EDJ-MED-378a25ea-21
0.424
RAL-THA-4aa06b95-6
0.423
EDJ-MED-7889e8da-6
0.423
EDJ-MED-378a25ea-9
0.423
MAT-POS-90fd5f68-16
0.422
EDJ-MED-eb111c00-1
0.422
MIC-UNK-91acba05-2
0.422
EDJ-MED-378a25ea-17
0.422
PET-UNK-03fd2068-4
0.421
PET-UNK-fe31e24a-5
0.421
EDJ-MED-378a25ea-7
0.421
DAR-DIA-0f2f46c9-11
0.420
MAK-UNK-8be7dca9-9
0.418
DAR-DIA-0f2f46c9-10
0.418
BEN-DND-f2e727cd-6
0.418
MAT-POS-dd3ad2b5-1
0.418
MIC-UNK-45817b9b-2
0.418
EDJ-MED-ede277f6-4
0.418
EDJ-MED-41558c53-13
0.417
LUO-POS-edefcc0e-1
0.417
LUO-POS-74179f4f-1
0.417
EDJ-MED-0186a59b-6
0.417
DAR-DIA-9e4459de-14
0.417
MAT-POS-c7726e07-8
0.416
MAT-POS-c7726e07-7
0.416
EDJ-MED-be9e6f63-3
0.416
EDJ-MED-378a25ea-25
0.416
PET-UNK-b78139fa-3
0.416
EDJ-MED-378a25ea-13
0.415
EDJ-MED-378a25ea-31
0.415
EDJ-MED-41558c53-10
0.415
PET-UNK-c671f938-3
0.415
PET-UNK-c671f938-7
0.415
PET-UNK-af70882d-4
0.415
PET-UNK-e9bc7c59-5
0.415
PET-UNK-ff046148-3
0.415
EDJ-MED-be9e6f63-2
0.415
EDJ-MED-7889e8da-2
0.415
DAR-DIA-0f2f46c9-5
0.414
DAR-DIA-0f2f46c9-6
0.414
MAT-POS-90fd5f68-13
0.414
EDG-MED-5d232de5-3
0.414
ALP-POS-a577c8a2-2
0.414
RAL-THA-c11c1343-1
0.414
DAR-DIA-0f2f46c9-4
0.414
ALP-POS-966f8da6-2
0.414
EDG-MED-5d232de5-4
0.414
PET-UNK-f4e47ebd-12
0.414
PET-UNK-c671f938-1
0.414
PET-UNK-c671f938-5
0.414
EDJ-MED-378a25ea-18
0.413
DAR-DIA-0f2f46c9-9
0.412
EDJ-MED-41558c53-1
0.412
DAR-DIA-0f2f46c9-7
0.412
DAR-DIA-0f2f46c9-8
0.412
EDJ-MED-93390d0c-2
0.412
RAL-THA-8416115c-8
0.412