Molecular Properties | |
SMILES: | CN(c1cc2c(NC(=O)[C@@H]3CNC(=O)c4ccc(Cl)cc43)cncc2cc1F)S(C)(=O)=O |
MW: | 476.07 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 108.47 |
cLogP: | 2.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-7279c968-9
0.820
PET-UNK-e9bc7c59-2
0.722
PET-UNK-e9bc7c59-1
0.714
PET-UNK-b38839dc-13
0.691
PET-UNK-7279c968-8
0.691
PET-UNK-e9bc7c59-6
0.667
EDJ-MED-827e7cb4-1
0.653
PET-UNK-7279c968-7
0.646
PET-UNK-7279c968-5
0.639
ALP-POS-6f6ae286-1
0.639
PET-UNK-fe31e24a-2
0.636
PET-UNK-b38839dc-14
0.630
EDJ-MED-d9f3798e-1
0.627
PET-UNK-329a9ce9-4
0.625
PET-UNK-09a29654-3
0.613
ALP-POS-f1807566-2
0.604
PET-UNK-fe31e24a-1
0.604
PET-UNK-7279c968-6
0.604
MAT-POS-865c3497-2
0.598
ROB-UNI-322e8f70-3
0.598
MIC-UNK-91acba05-1
0.598
MAT-POS-22e8b45a-1
0.598
MAT-POS-865c3497-1
0.598
PET-UNK-7279c968-1
0.564
PET-UNK-e9bc7c59-9
0.562
PET-UNK-7279c968-2
0.556
PET-UNK-7279c968-4
0.554
PET-UNK-b38839dc-12
0.554
PET-UNK-7279c968-3
0.549
PET-UNK-e9bc7c59-12
0.492
EDJ-MED-f9b78f78-2
0.482
PET-UNK-7bb24635-5
0.477
PET-UNK-ee8352fa-5
0.477
PET-UNK-329a9ce9-8
0.475
EDJ-MED-dd2a8363-4
0.468
PET-UNK-e9bc7c59-5
0.461
PET-UNK-a7639856-3
0.458
PET-UNK-e9bc7c59-4
0.457
EDJ-MED-dd2a8363-1
0.454
PET-UNK-19e211a9-6
0.452
EDJ-MED-dd2a8363-5
0.450
EDJ-MED-dd2a8363-3
0.450
PET-UNK-09a29654-6
0.446
EDJ-MED-f9b78f78-1
0.441
DAR-DIA-9f765dc6-1
0.440
DAR-DIA-9f765dc6-3
0.440
DAR-DIA-9f765dc6-4
0.440
PET-UNK-f9b7ae87-9
0.440
PET-UNK-329a9ce9-3
0.436
RAL-THA-5ed3c24e-3
0.433
EDJ-MED-827e7cb4-4
0.430
EDJ-MED-d165ed91-6
0.430
MAT-POS-37ffad05-1
0.427
JOH-UNI-d2a12aa9-2
0.427
PET-UNK-329a9ce9-2
0.427
EDJ-MED-827e7cb4-7
0.426
EDJ-MED-f9b78f78-5
0.421
PET-UNK-b38839dc-10
0.417
MAT-POS-b4d6b7fc-4
0.416
PET-UNK-b38839dc-7
0.415
EDJ-MED-d9f3798e-2
0.415
MIC-UNK-8758c41d-2
0.413
PET-UNK-09a29654-1
0.412
PET-UNK-09a29654-2
0.412
DAR-DIA-9f765dc6-5
0.409
DAR-DIA-9f765dc6-6
0.409
PET-UNK-b78139fa-6
0.409
DAR-DIA-9f765dc6-2
0.409
TET-ENA-9b1de71a-1
0.409
EDJ-MED-827e7cb4-8
0.409
PET-UNK-c6bcc80b-3
0.405
PET-UNK-c6bcc80b-10
0.405
EDJ-MED-94fddcec-1
0.403
PET-UNK-d899bab6-2
0.402
EDJ-MED-41558c53-10
0.400
EDJ-MED-41558c53-7
0.400
PET-UNK-2c6614b6-7
0.398
ERI-UCB-b3e6b0c2-2
0.398
MAT-POS-edabd372-1
0.397
PET-UNK-fe31e24a-6
0.397
EDJ-MED-d165ed91-5
0.395
ERI-UCB-b3e6b0c2-11
0.395
MAR-UCB-6ab2ec87-1
0.394
EDJ-MED-41558c53-2
0.393
EDJ-MED-d165ed91-1
0.393
EDJ-MED-41558c53-12
0.393
PET-UNK-b38839dc-4
0.393
ALP-POS-a577c8a2-1
0.393
MAT-POS-af1eef35-3
0.393
EDJ-MED-e18764cb-2
0.393
BEN-DND-d6f8d3c6-1
0.393
EDJ-MED-827e7cb4-2
0.392
EDJ-MED-41558c53-6
0.391
PET-UNK-c671f938-3
0.388
PET-UNK-c671f938-7
0.388
PET-UNK-03fd2068-3
0.388
EDJ-MED-0047eae5-1
0.388
JOH-UNI-d2a12aa9-4
0.388
PET-UNK-b38839dc-16
0.387
EDJ-MED-0047eae5-2
0.387