Molecule Details
| Molecular Properties | |
| SMILES: | CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccc(F)cc45)C3=O)C2)CC1 |
| MW: | 513.13 |
| Fraction sp3: | 0.38 |
| HBA: | 4 |
| HBD: | 0 |
| Rotatable Bonds: | 4 |
| TPSA: | 70.58 |
| cLogP: | 4.65 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-853c0ffa-14
0.816
MAT-POS-853c0ffa-13
0.806
MAT-POS-853c0ffa-20
0.774
ALP-POS-ecbed2ba-3
0.772
MAT-POS-853c0ffa-19
0.719
MAT-POS-853c0ffa-18
0.717
MAT-POS-853c0ffa-22
0.697
EDJ-MED-b6c6ee2b-4
0.676
ALP-POS-ecbed2ba-1
0.673
MAT-POS-853c0ffa-17
0.670
EDJ-MED-5cd3920d-2
0.652
EDJ-MED-5cd3920d-6
0.649
VLA-UNK-61877630-10
0.649
PET-UNK-94036022-3
0.642
PET-UNK-94036022-10
0.642
EDJ-MED-b6c6ee2b-3
0.638
MIK-ENA-60569a44-1
0.638
MIK-ENA-bb7b6957-1
0.638
EDJ-MED-5cd3920d-5
0.634
ALP-POS-ecbed2ba-6
0.634
MAT-POS-853c0ffa-11
0.632
MAT-POS-853c0ffa-12
0.632
LUO-POS-b4dec3be-1
0.631
MIK-ENA-4bb8c98f-1
0.631
MIK-ENA-610c7cf9-1
0.631
LUO-POS-b4dec3be-2
0.631
PET-UNK-94036022-2
0.631
MAT-POS-b4d6b7fc-5
0.631
PET-UNK-94036022-9
0.631
EDJ-MED-3707c4bc-1
0.627
ALP-POS-ecbed2ba-4
0.625
MIK-ENA-5d9157e9-1
0.625
EDJ-MED-8bb691af-6
0.625
MIK-ENA-5d9157e9-2
0.625
EDJ-MED-5cd3920d-1
0.622
MAT-POS-38eb6498-2
0.617
ALP-POS-ecbed2ba-8
0.614
MAT-POS-40ad851a-4
0.613
EDJ-MED-3707c4bc-2
0.613
EDJ-MED-4138fde9-7
0.612
MAT-POS-853c0ffa-10
0.610
MIK-ENA-8063e9dc-1
0.605
LUO-POS-8484f2d3-2
0.605
MIK-ENA-7066949b-1
0.605
LUO-POS-8484f2d3-1
0.605
MAT-POS-853c0ffa-9
0.605
MAT-POS-38eb6498-1
0.605
ALP-POS-ecbed2ba-15
0.603
ALP-POS-ecbed2ba-22
0.603
PET-UNK-c6bcc80b-4
0.603
PET-UNK-c6bcc80b-11
0.603
EDJ-MED-accc2c4d-1
0.602
EDJ-MED-ee81482e-2
0.602
MAT-POS-1a788f51-2
0.602
EDJ-MED-ee81482e-1
0.598
MAT-POS-1a788f51-1
0.598
EDJ-MED-accc2c4d-3
0.598
EDJ-MED-7587a9ee-3
0.598
EDJ-MED-4138fde9-1
0.597
ALP-POS-ecbed2ba-11
0.597
MAT-POS-40ad851a-3
0.595
MAT-POS-40ad851a-2
0.591
EDJ-MED-4138fde9-8
0.588
EDJ-MED-468565e0-5
0.587
LUO-POS-d1147590-1
0.587
EDJ-MED-4138fde9-9
0.586
MAT-POS-853c0ffa-8
0.586
ALP-POS-ecbed2ba-13
0.586
LUO-POS-ed2cfb03-2
0.582
EDJ-MED-ee81482e-3
0.581
ALP-POS-ecbed2ba-2
0.579
MAT-POS-1a788f51-3
0.578
MAT-POS-853c0ffa-6
0.578
ALP-POS-ecbed2ba-5
0.578
MAT-POS-853c0ffa-15
0.575
MAT-POS-853c0ffa-16
0.575
EDJ-MED-ee81482e-5
0.575
EDJ-MED-468565e0-1
0.575
EDJ-MED-468565e0-4
0.574
MAT-POS-1a788f51-4
0.574
EDJ-MED-4138fde9-2
0.573
EDJ-MED-ee81482e-4
0.570
MAT-POS-40ad851a-5
0.566
ALP-POS-ecbed2ba-10
0.560
ALP-POS-ecbed2ba-20
0.559
ALP-POS-ecbed2ba-18
0.557
MAT-POS-40ad851a-1
0.556
EDJ-MED-468565e0-2
0.553
EDJ-MED-468565e0-3
0.549
LUO-POS-ed2cfb03-1
0.548
MAT-POS-853c0ffa-7
0.546
EDJ-MED-accc2c4d-4
0.543
ALP-POS-ecbed2ba-19
0.542
ALP-POS-ecbed2ba-9
0.542
EDJ-MED-b6c6ee2b-6
0.538
EDG-MED-b1ef7fe3-2
0.538
ALP-POS-ecbed2ba-17
0.538
MAT-POS-1d5ab790-1
0.533
MAT-POS-853c0ffa-5
0.533
PET-UNK-df7eb4e6-3
0.529