Molecule Details
| Molecular Properties | |
| SMILES: | COC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5cccc(Cl)c45)C3=O)C2)CC1 |
| MW: | 545.09 |
| Fraction sp3: | 0.38 |
| HBA: | 5 |
| HBD: | 0 |
| Rotatable Bonds: | 5 |
| TPSA: | 79.81 |
| cLogP: | 4.54 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-853c0ffa-17
0.820
MAT-POS-853c0ffa-8
0.804
MAT-POS-853c0ffa-5
0.786
MAT-POS-1d5ab790-1
0.786
ALP-POS-ecbed2ba-6
0.726
MAT-POS-853c0ffa-14
0.685
MAT-POS-853c0ffa-12
0.661
MAT-POS-853c0ffa-16
0.658
MAT-POS-853c0ffa-18
0.655
MAT-POS-853c0ffa-10
0.650
MAT-POS-853c0ffa-6
0.634
MAT-POS-1d5ab790-2
0.622
MAT-POS-b4d6b7fc-6
0.622
ALP-POS-ecbed2ba-3
0.584
PET-UNK-94036022-2
0.574
PET-UNK-94036022-9
0.574
ALP-POS-ecbed2ba-1
0.573
PET-UNK-94036022-10
0.570
PET-UNK-94036022-3
0.570
EDJ-MED-4138fde9-7
0.558
EDJ-MED-3707c4bc-1
0.557
ALP-POS-ecbed2ba-4
0.556
EDJ-MED-8bb691af-6
0.556
MIK-ENA-5d9157e9-1
0.556
MIK-ENA-5d9157e9-2
0.556
EDJ-MED-5cd3920d-6
0.551
EDJ-MED-5cd3920d-5
0.551
VLA-UNK-61877630-10
0.551
ALP-POS-ecbed2ba-22
0.550
EDJ-MED-b6c6ee2b-4
0.547
MAT-POS-853c0ffa-21
0.546
ALP-POS-ecbed2ba-8
0.546
EDJ-MED-b6c6ee2b-3
0.545
MIK-ENA-60569a44-1
0.545
MIK-ENA-bb7b6957-1
0.545
MAT-POS-853c0ffa-19
0.543
EDJ-MED-accc2c4d-3
0.543
EDJ-MED-3707c4bc-2
0.543
ALP-POS-ecbed2ba-15
0.537
MAT-POS-38eb6498-1
0.531
MAT-POS-853c0ffa-9
0.531
LUO-POS-8484f2d3-1
0.531
MIK-ENA-8063e9dc-1
0.531
LUO-POS-8484f2d3-2
0.531
MIK-ENA-7066949b-1
0.531
MAT-POS-853c0ffa-22
0.529
MAT-POS-853c0ffa-20
0.528
ALP-POS-ecbed2ba-2
0.528
MAT-POS-1a788f51-2
0.527
MAT-POS-40ad851a-4
0.527
ALP-POS-ecbed2ba-5
0.525
MAT-POS-853c0ffa-13
0.525
EDJ-MED-4138fde9-8
0.521
EDJ-MED-accc2c4d-1
0.521
ALP-POS-ecbed2ba-13
0.521
ALP-POS-ecbed2ba-11
0.520
EDJ-MED-5cd3920d-2
0.520
MAT-POS-853c0ffa-11
0.516
MAT-POS-38eb6498-2
0.516
EDJ-MED-ee81482e-2
0.515
EDJ-MED-7587a9ee-3
0.513
MAT-POS-853c0ffa-1
0.513
MAT-POS-1d5ab790-3
0.513
MAT-POS-853c0ffa-15
0.512
MAT-POS-1a788f51-1
0.512
EDJ-MED-4138fde9-1
0.511
MAT-POS-40ad851a-3
0.511
EDJ-MED-4138fde9-9
0.508
EDJ-MED-5cd3920d-1
0.508
PET-UNK-c6bcc80b-4
0.504
PET-UNK-c6bcc80b-11
0.504
EDJ-MED-468565e0-1
0.504
LUO-POS-d1147590-1
0.504
LUO-POS-ed2cfb03-2
0.500
EDJ-MED-705e09b8-2
0.500
EDJ-MED-ee81482e-1
0.500
EDJ-MED-ee81482e-3
0.500
MAT-POS-40ad851a-1
0.500
MAT-POS-40ad851a-2
0.496
MAT-POS-40ad851a-5
0.496
MAT-POS-1a788f51-3
0.496
ALP-POS-ecbed2ba-10
0.496
LUO-POS-ed2cfb03-1
0.496
EDJ-MED-468565e0-4
0.493
MAT-POS-1a788f51-4
0.493
EDJ-MED-468565e0-5
0.493
PET-UNK-df7eb4e6-7
0.492
ALP-POS-ecbed2ba-21
0.492
PET-UNK-df7eb4e6-3
0.492
ALP-POS-ecbed2ba-18
0.492
ALP-POS-ecbed2ba-20
0.491
EDJ-MED-468565e0-2
0.486
EDJ-MED-468565e0-3
0.482
ALP-POS-133e7cd9-2
0.480
ALP-POS-ecbed2ba-19
0.480
EDJ-MED-accc2c4d-4
0.479
EDJ-MED-ee81482e-4
0.478
ALP-POS-ecbed2ba-17
0.476
EDJ-MED-4138fde9-2
0.471
EDJ-MED-ee81482e-5
0.471