Molecule Details
| Molecular Properties | |
| SMILES: | COC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4cc(F)cc(Cl)c34)C2)CC1 |
| MW: | 537.07 |
| Fraction sp3: | 0.33 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 6 |
| TPSA: | 88.6 |
| cLogP: | 4.73 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-81ae2990-2
0.820
MAT-POS-81ae2990-4
0.794
MAT-POS-81ae2990-8
0.794
MAT-POS-81ae2990-6
0.736
MAT-POS-bf364d7a-7
0.685
ALF-EVA-07677224-7
0.685
EDJ-MED-76744c27-4
0.685
MAT-POS-bf364d7a-8
0.685
MAT-POS-97ec4bd1-1
0.664
MAT-POS-81ae2990-1
0.645
MAT-POS-dc2604c4-2
0.643
MAT-POS-81ae2990-7
0.625
MAT-POS-b4d6b7fc-8
0.625
EDJ-MED-ede277f6-11
0.614
MAT-POS-81ae2990-3
0.588
MAT-POS-13080fc6-1
0.576
MAT-POS-13080fc6-3
0.576
MAT-POS-81ae2990-9
0.569
MAT-POS-b4d6b7fc-9
0.569
PET-UNK-ff046148-2
0.565
PET-UNK-19e211a9-5
0.554
EDJ-MED-be9e6f63-2
0.551
EDJ-MED-7889e8da-2
0.551
EDJ-MED-d1555997-1
0.545
PET-UNK-19e211a9-9
0.545
MAT-POS-dd1fff26-2
0.543
MAT-POS-5cd9ea36-9
0.543
MAT-POS-5cd9ea36-10
0.543
MAT-POS-dd1fff26-1
0.543
EDJ-MED-d1555997-2
0.541
PET-UNK-615ad708-2
0.539
PET-UNK-ff046148-1
0.539
PET-UNK-615ad708-5
0.539
JOH-SUS-07b743f6-6
0.538
ALP-POS-6f6ae286-4
0.537
EDJ-MED-ede277f6-10
0.537
ALP-POS-395d3f9b-1
0.534
XIA-UNK-c8ef6831-1
0.534
PET-UNK-19e211a9-10
0.533
MAT-POS-5c19d660-2
0.533
MAT-POS-78ab8081-6
0.533
PET-UNK-c6bcc80b-8
0.532
MAT-POS-5c19d660-3
0.532
PET-UNK-c6bcc80b-1
0.532
ROB-CAM-4c532489-1
0.532
PET-UNK-af70882d-4
0.530
EDJ-MED-378a25ea-10
0.529
PET-UNK-19e211a9-6
0.528
PET-UNK-19e211a9-7
0.528
EDJ-MED-be9e6f63-4
0.526
EDJ-MED-7889e8da-4
0.526
XIA-UNK-284f966f-1
0.525
MAT-POS-dc2604c4-1
0.525
PET-UNK-94036022-8
0.525
MAT-POS-e194df51-1
0.525
MAT-POS-e194df51-2
0.525
PET-UNK-94036022-1
0.525
EDJ-MED-be9e6f63-1
0.525
MAT-POS-78ab8081-4
0.524
EDJ-MED-378a25ea-2
0.524
MAT-POS-78ab8081-2
0.523
JOH-SUS-07b743f6-2
0.521
EDJ-MED-378a25ea-12
0.521
EDJ-MED-378a25ea-26
0.520
MAT-POS-e36d57d9-1
0.520
MAT-POS-97ec4bd1-2
0.520
MAT-POS-2e8b2191-9
0.520
EDJ-MED-378a25ea-8
0.520
EDJ-MED-378a25ea-30
0.520
MAT-POS-4223bc15-6
0.518
EDJ-MED-75baa495-3
0.517
PET-UNK-ff046148-4
0.517
ALF-EVA-07677224-9
0.517
PET-UNK-19e211a9-1
0.517
MAT-POS-bfd29aac-1
0.517
MAT-POS-5c19d660-1
0.516
EDJ-MED-ede277f6-3
0.516
EDJ-MED-378a25ea-7
0.516
EDJ-MED-378a25ea-28
0.516
PET-UNK-19e211a9-2
0.513
MAT-POS-bfd29aac-2
0.513
MAT-POS-4223bc15-12
0.512
EDJ-MED-4fff0a85-3
0.512
JOH-SUS-07b743f6-1
0.512
MAT-POS-bf364d7a-1
0.512
MAT-POS-bf364d7a-2
0.512
MAT-POS-c7726e07-8
0.512
EDJ-MED-378a25ea-25
0.512
MAT-POS-c7726e07-7
0.512
EDJ-MED-be9e6f63-3
0.512
MAT-POS-78ab8081-5
0.512
EDJ-MED-378a25ea-6
0.512
EDJ-MED-378a25ea-22
0.512
EDJ-MED-378a25ea-24
0.512
PET-UNK-03fd2068-3
0.509
BRU-THA-d60fe444-1
0.509
MAT-POS-5cd9ea36-8
0.508
EDJ-MED-378a25ea-9
0.508
EDJ-MED-7889e8da-6
0.508
EDJ-MED-378a25ea-1
0.508