Molecule Details
| Molecular Properties | |
| SMILES: | COC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccc(F)cc45)C3=O)C2)CC1 |
| MW: | 529.12 |
| Fraction sp3: | 0.38 |
| HBA: | 5 |
| HBD: | 0 |
| Rotatable Bonds: | 5 |
| TPSA: | 79.81 |
| cLogP: | 4.03 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-853c0ffa-21
0.816
MAT-POS-853c0ffa-13
0.783
MAT-POS-853c0ffa-12
0.780
ALP-POS-ecbed2ba-6
0.771
MAT-POS-853c0ffa-10
0.733
MAT-POS-853c0ffa-8
0.731
MAT-POS-853c0ffa-16
0.699
MAT-POS-853c0ffa-7
0.685
EDJ-MED-b6c6ee2b-4
0.658
EDJ-MED-b6c6ee2b-3
0.650
MIK-ENA-60569a44-1
0.650
MIK-ENA-bb7b6957-1
0.650
EDJ-MED-5cd3920d-2
0.636
MAT-POS-853c0ffa-20
0.632
ALP-POS-ecbed2ba-3
0.625
EDJ-MED-5cd3920d-1
0.620
MAT-POS-853c0ffa-19
0.618
EDJ-MED-5cd3920d-6
0.617
VLA-UNK-61877630-10
0.617
MAT-POS-853c0ffa-11
0.617
MAT-POS-b4d6b7fc-5
0.614
LUO-POS-b4dec3be-1
0.614
MIK-ENA-4bb8c98f-1
0.614
LUO-POS-b4dec3be-2
0.614
MIK-ENA-610c7cf9-1
0.614
MAT-POS-1a788f51-2
0.613
MAT-POS-40ad851a-4
0.611
PET-UNK-94036022-3
0.611
PET-UNK-94036022-10
0.611
EDJ-MED-5cd3920d-5
0.603
MIK-ENA-7066949b-1
0.603
MAT-POS-853c0ffa-9
0.603
MAT-POS-38eb6498-1
0.603
LUO-POS-8484f2d3-1
0.603
MIK-ENA-8063e9dc-1
0.603
LUO-POS-8484f2d3-2
0.603
MAT-POS-38eb6498-2
0.602
EDJ-MED-ee81482e-2
0.600
PET-UNK-94036022-9
0.600
PET-UNK-94036022-2
0.600
ALP-POS-ecbed2ba-1
0.598
EDJ-MED-ee81482e-1
0.597
MAT-POS-1a788f51-1
0.597
EDJ-MED-3707c4bc-1
0.596
EDJ-MED-4138fde9-1
0.595
MAT-POS-853c0ffa-18
0.595
MIK-ENA-5d9157e9-1
0.595
MIK-ENA-5d9157e9-2
0.595
ALP-POS-ecbed2ba-4
0.595
EDJ-MED-8bb691af-6
0.595
EDJ-MED-468565e0-5
0.586
LUO-POS-d1147590-1
0.586
ALP-POS-ecbed2ba-8
0.585
EDJ-MED-4138fde9-7
0.583
EDJ-MED-3707c4bc-2
0.583
MAT-POS-40ad851a-3
0.581
MAT-POS-40ad851a-2
0.577
MAT-POS-1a788f51-3
0.577
MAT-POS-853c0ffa-6
0.576
PET-UNK-c6bcc80b-11
0.576
PET-UNK-c6bcc80b-4
0.576
ALP-POS-ecbed2ba-15
0.575
ALP-POS-ecbed2ba-22
0.575
EDJ-MED-468565e0-1
0.574
EDJ-MED-accc2c4d-1
0.573
EDJ-MED-468565e0-4
0.573
MAT-POS-1a788f51-4
0.573
EDJ-MED-4138fde9-2
0.571
EDJ-MED-ee81482e-4
0.569
ALP-POS-ecbed2ba-11
0.569
EDJ-MED-accc2c4d-3
0.569
EDJ-MED-ee81482e-3
0.568
MAT-POS-40ad851a-1
0.567
MAT-POS-853c0ffa-22
0.567
MAT-POS-40ad851a-5
0.565
EDJ-MED-468565e0-2
0.564
EDJ-MED-ee81482e-5
0.562
ALP-POS-ecbed2ba-10
0.559
EDJ-MED-4138fde9-8
0.559
ALP-POS-ecbed2ba-13
0.558
EDJ-MED-4138fde9-9
0.558
MAT-POS-853c0ffa-17
0.555
EDJ-MED-7587a9ee-3
0.554
LUO-POS-ed2cfb03-2
0.553
ALP-POS-ecbed2ba-2
0.552
ALP-POS-ecbed2ba-5
0.550
MAT-POS-853c0ffa-15
0.548
EDJ-MED-468565e0-3
0.548
MAT-POS-853c0ffa-5
0.533
MAT-POS-1d5ab790-1
0.533
ALP-POS-ecbed2ba-20
0.530
ALP-POS-ecbed2ba-18
0.529
ALP-POS-ecbed2ba-21
0.528
LUO-POS-ed2cfb03-1
0.521
ALP-POS-ecbed2ba-9
0.516
ALP-POS-ecbed2ba-19
0.516
PET-UNK-df7eb4e6-3
0.516
PET-UNK-df7eb4e6-7
0.516
EDJ-MED-b6c6ee2b-6
0.512
EDG-MED-b1ef7fe3-2
0.512