Molecular Properties | |
SMILES: | COCCOc1ccc2cncc(NC(=O)[C@@H]3CN(C)c4ccc(Cl)cc43)c2c1 |
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-b3e6b0c2-17
0.747
ERI-UCB-b3e6b0c2-3
0.667
ERI-UCB-b3e6b0c2-7
0.657
ERI-UCB-b3e6b0c2-8
0.634
MAR-UCB-6ab2ec87-6
0.628
ERI-UCB-b3e6b0c2-4
0.598
ERI-UCB-b3e6b0c2-12
0.569
PET-UNK-fe31e24a-5
0.543
ERI-UCB-b3e6b0c2-13
0.527
MAT-POS-78ab8081-2
0.525
EDJ-MED-378a25ea-30
0.496
PET-UNK-19e211a9-9
0.496
MAT-POS-78ab8081-1
0.488
MAT-POS-83f73d0a-2
0.488
ERI-UCB-b3e6b0c2-15
0.477
MAT-POS-f9802937-7
0.477
MAR-UCB-6ab2ec87-7
0.467
EDJ-MED-1b5395f9-3
0.464
EDJ-MED-1b5395f9-2
0.464
EDJ-MED-1b5395f9-1
0.464
RAL-THA-4aa06b95-7
0.464
PET-UNK-fe31e24a-6
0.464
EDG-MED-5d232de5-6
0.462
RAL-THA-8416115c-2
0.462
MIC-UNK-91acba05-6
0.462
EDG-MED-5d232de5-5
0.462
ERI-UCB-b3e6b0c2-16
0.460
EDJ-MED-009f762b-1
0.458
MAT-POS-24589f88-16
0.458
PET-UNK-03fd2068-3
0.455
ALP-POS-f1807566-2
0.450
PET-UNK-fe31e24a-1
0.450
MAT-POS-4223bc15-28
0.447
ALP-POS-d054b76b-1
0.444
PET-UNK-162c14b2-2
0.442
EDJ-MED-611d11e7-9
0.438
FRA-DIA-6238d354-2
0.438
MAT-POS-96f51285-3
0.438
BEN-DND-c852c98b-6
0.438
RAL-THA-4aa06b95-5
0.435
MAT-POS-90fd5f68-32
0.434
BEN-DND-c852c98b-2
0.434
EDJ-MED-eb111c00-2
0.431
EDJ-MED-670ad2ee-9
0.430
EDJ-MED-670ad2ee-10
0.430
EDJ-MED-841e0cf0-7
0.430
EDJ-MED-009f762b-4
0.430
MAT-POS-b4d6b7fc-9
0.430
MAT-POS-81ae2990-9
0.430
MAT-POS-61f37a1a-13
0.430
EDJ-MED-009f762b-5
0.427
ALP-POS-a577c8a2-2
0.427
EDJ-MED-841e0cf0-6
0.426
EDJ-MED-670ad2ee-7
0.426
EDJ-MED-670ad2ee-8
0.426
PET-UNK-19e211a9-10
0.424
MAT-POS-2e8b2191-9
0.424
EDJ-MED-378a25ea-26
0.424
MAT-POS-e36d57d9-1
0.424
MAT-POS-78ab8081-6
0.424
PET-UNK-e9bc7c59-4
0.424
EDJ-MED-009f762b-2
0.423
EDJ-MED-009f762b-3
0.423
MAT-POS-61f37a1a-5
0.423
MAT-POS-24589f88-5
0.423
MAT-POS-81ae2990-6
0.423
DAR-DIA-0587064e-17
0.422
PET-UNK-f4e47ebd-11
0.422
MAT-POS-90fd5f68-34
0.422
PET-UNK-b38839dc-8
0.422
MIC-UNK-91acba05-2
0.422
EDJ-MED-eb111c00-1
0.422
DAR-DIA-0f2f46c9-12
0.422
EDJ-MED-378a25ea-10
0.419
MAT-POS-e119ab4f-2
0.419
MAT-POS-c7726e07-3
0.419
MAT-POS-c7726e07-4
0.419
MAT-POS-90fd5f68-31
0.418
MIC-UNK-45817b9b-2
0.418
EDJ-MED-841e0cf0-5
0.417
MAT-POS-64942dd0-2
0.417
EDJ-MED-670ad2ee-6
0.417
PET-UNK-03fd2068-5
0.417
EDJ-MED-670ad2ee-5
0.417
EDJ-MED-378a25ea-2
0.417
EDJ-MED-378a25ea-24
0.417
MAT-POS-78ab8081-4
0.417
MAT-POS-4223bc15-4
0.417
PET-UNK-f4e47ebd-9
0.416
RAL-THA-8416115c-4
0.416
PET-UNK-e9bc7c59-5
0.415
ALP-POS-ce760d3f-7
0.413
EDG-MED-5d232de5-1
0.413
EDG-MED-5d232de5-2
0.413
PET-UNK-b78139fa-7
0.413
ALP-POS-696356e4-1
0.413
MAT-POS-97ec4bd1-2
0.413
EDJ-MED-1b5395f9-4
0.412
EDJ-MED-1b5395f9-5
0.412
EDJ-MED-1b5395f9-6
0.412