Molecule Details
| Molecular Properties | |
| SMILES: | CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5cccc(Cl)c45)C3=O)C2)CC1 |
| MW: | 529.1 |
| Fraction sp3: | 0.38 |
| HBA: | 4 |
| HBD: | 0 |
| Rotatable Bonds: | 4 |
| TPSA: | 70.58 |
| cLogP: | 5.16 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-853c0ffa-7
0.820
MAT-POS-853c0ffa-5
0.802
MAT-POS-1d5ab790-1
0.802
MAT-POS-853c0ffa-18
0.800
ALP-POS-ecbed2ba-3
0.718
MAT-POS-853c0ffa-21
0.670
MAT-POS-853c0ffa-8
0.655
MAT-POS-853c0ffa-22
0.649
MAT-POS-853c0ffa-20
0.646
MAT-POS-853c0ffa-6
0.645
ALP-POS-ecbed2ba-1
0.640
MAT-POS-1d5ab790-2
0.633
MAT-POS-b4d6b7fc-6
0.633
MAT-POS-853c0ffa-19
0.630
ALP-POS-ecbed2ba-6
0.602
PET-UNK-94036022-2
0.598
PET-UNK-94036022-9
0.598
PET-UNK-94036022-10
0.595
PET-UNK-94036022-3
0.595
EDJ-MED-4138fde9-7
0.581
EDJ-MED-3707c4bc-1
0.580
MIK-ENA-5d9157e9-1
0.579
EDJ-MED-8bb691af-6
0.579
ALP-POS-ecbed2ba-4
0.579
MIK-ENA-5d9157e9-2
0.579
EDJ-MED-5cd3920d-5
0.574
EDJ-MED-5cd3920d-6
0.574
VLA-UNK-61877630-10
0.574
ALP-POS-ecbed2ba-22
0.573
ALP-POS-ecbed2ba-8
0.569
EDJ-MED-accc2c4d-3
0.566
EDJ-MED-3707c4bc-2
0.566
ALP-POS-ecbed2ba-15
0.559
EDJ-MED-b6c6ee2b-4
0.557
MAT-POS-853c0ffa-14
0.555
EDJ-MED-7587a9ee-3
0.550
ALP-POS-ecbed2ba-2
0.549
ALP-POS-ecbed2ba-5
0.547
MAT-POS-853c0ffa-16
0.545
MAT-POS-853c0ffa-10
0.543
EDJ-MED-4138fde9-8
0.543
EDJ-MED-accc2c4d-1
0.543
ALP-POS-ecbed2ba-13
0.542
ALP-POS-ecbed2ba-11
0.541
MAT-POS-853c0ffa-12
0.537
MAT-POS-1d5ab790-3
0.534
MAT-POS-853c0ffa-1
0.534
MAT-POS-853c0ffa-13
0.533
MAT-POS-853c0ffa-15
0.533
EDJ-MED-4138fde9-9
0.529
EDJ-MED-b6c6ee2b-3
0.528
MIK-ENA-bb7b6957-1
0.528
MIK-ENA-60569a44-1
0.528
EDJ-MED-5cd3920d-2
0.528
LUO-POS-8484f2d3-1
0.527
MIK-ENA-7066949b-1
0.527
LUO-POS-8484f2d3-2
0.527
MAT-POS-853c0ffa-9
0.527
MAT-POS-38eb6498-1
0.527
MIK-ENA-8063e9dc-1
0.527
MAT-POS-853c0ffa-11
0.524
PET-UNK-c6bcc80b-11
0.524
MAT-POS-38eb6498-2
0.524
PET-UNK-c6bcc80b-4
0.524
MAT-POS-40ad851a-4
0.523
LUO-POS-ed2cfb03-2
0.522
MAT-POS-40ad851a-3
0.519
LUO-POS-ed2cfb03-1
0.517
ALP-POS-ecbed2ba-20
0.513
EDJ-MED-accc2c4d-4
0.513
ALP-POS-ecbed2ba-18
0.513
MAT-POS-1a788f51-2
0.512
EDJ-MED-ee81482e-2
0.512
MAT-POS-1a788f51-1
0.508
EDJ-MED-4138fde9-1
0.508
EDJ-MED-ee81482e-3
0.507
EDJ-MED-5cd3920d-1
0.504
MAT-POS-40ad851a-2
0.504
ALP-POS-133e7cd9-2
0.500
EDJ-MED-468565e0-1
0.500
LUO-POS-d1147590-1
0.500
PET-UNK-df7eb4e6-3
0.500
PET-UNK-df7eb4e6-7
0.500
ALP-POS-ecbed2ba-19
0.500
EDJ-MED-ee81482e-1
0.496
ALP-POS-ecbed2ba-17
0.496
EDJ-MED-705e09b8-2
0.496
MAT-POS-40ad851a-5
0.493
MAT-POS-1a788f51-3
0.493
ALP-POS-ecbed2ba-10
0.492
EDJ-MED-468565e0-4
0.489
MAT-POS-1a788f51-4
0.489
EDJ-MED-468565e0-5
0.489
ALP-POS-ecbed2ba-21
0.488
MAT-POS-40ad851a-1
0.486
ALP-POS-ecbed2ba-16
0.484
PET-UNK-143b31ee-1
0.480
PET-UNK-143b31ee-4
0.480
PET-UNK-94036022-4
0.479
PET-UNK-94036022-11
0.479