Molecule Details
| Molecular Properties | |
| SMILES: | CN(C)CCOc1ccc2cncc(N3CCC4(CN(S(=O)(=O)CC5(C)CC5)Cc5ccc(Cl)cc54)C3=O)c2c1 |
| MW: | 582.21 |
| Fraction sp3: | 0.47 |
| HBA: | 6 |
| HBD: | 0 |
| Rotatable Bonds: | 8 |
| TPSA: | 83.05 |
| cLogP: | 4.45 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-853c0ffa-10
0.858
MAT-POS-853c0ffa-9
0.851
MAT-POS-38eb6498-1
0.851
LUO-POS-8484f2d3-2
0.851
MIK-ENA-7066949b-1
0.851
LUO-POS-8484f2d3-1
0.851
MIK-ENA-8063e9dc-1
0.851
MAT-POS-40ad851a-4
0.767
MAT-POS-40ad851a-2
0.754
MAT-POS-40ad851a-3
0.746
MAT-POS-853c0ffa-21
0.719
MAT-POS-1a788f51-2
0.713
MAT-POS-1a788f51-1
0.711
EDJ-MED-4138fde9-1
0.707
ALP-POS-ecbed2ba-3
0.705
EDJ-MED-ee81482e-3
0.701
MAT-POS-853c0ffa-20
0.695
MAT-POS-1a788f51-4
0.693
LUO-POS-e1dab717-7
0.691
MAT-POS-1a788f51-3
0.685
EDJ-MED-468565e0-1
0.683
EDJ-MED-468565e0-5
0.683
EDJ-MED-b6c6ee2b-1
0.675
MAT-POS-38eb6498-3
0.675
MAT-POS-40ad851a-5
0.672
MIK-ENA-bb7b6957-1
0.669
EDJ-MED-b6c6ee2b-3
0.669
MIK-ENA-60569a44-1
0.669
EDJ-MED-468565e0-4
0.667
EDJ-MED-468565e0-2
0.656
EDJ-MED-468565e0-3
0.652
EDJ-MED-4138fde9-2
0.652
MIK-ENA-30ee93be-1
0.648
MAT-POS-853c0ffa-18
0.644
MAT-POS-853c0ffa-22
0.642
EDJ-MED-5cd3920d-1
0.640
MAT-POS-40ad851a-1
0.634
EDJ-MED-ee81482e-2
0.633
MAT-POS-853c0ffa-17
0.630
EDJ-MED-ee81482e-1
0.630
EDJ-MED-b6c6ee2b-4
0.622
ALP-POS-ecbed2ba-1
0.620
LUO-POS-d1147590-1
0.618
MAT-POS-853c0ffa-14
0.618
ALP-POS-ecbed2ba-6
0.612
EDJ-MED-5cd3920d-2
0.603
EDJ-MED-ee81482e-4
0.602
MAT-POS-853c0ffa-12
0.598
MAT-POS-853c0ffa-13
0.597
MAT-POS-38eb6498-4
0.594
EDJ-MED-b6c6ee2b-5
0.594
PET-UNK-94036022-3
0.592
PET-UNK-94036022-10
0.592
MIK-ENA-5d9157e9-1
0.590
MIK-ENA-5d9157e9-2
0.590
ALP-POS-ecbed2ba-4
0.590
EDJ-MED-8bb691af-6
0.590
MAT-POS-853c0ffa-11
0.586
EDJ-MED-5cd3920d-5
0.585
PET-UNK-94036022-9
0.582
PET-UNK-94036022-2
0.582
ALP-POS-ecbed2ba-8
0.581
LUO-POS-e1dab717-8
0.579
EDJ-MED-3707c4bc-1
0.579
EDJ-MED-4138fde9-3
0.577
EDJ-MED-5cd3920d-6
0.573
VLA-UNK-61877630-10
0.573
EDJ-MED-d4864bdc-4
0.573
MAT-POS-38eb6498-2
0.573
ALP-POS-ecbed2ba-15
0.571
EDJ-MED-4138fde9-7
0.567
ALP-POS-ecbed2ba-11
0.566
EDJ-MED-3707c4bc-2
0.566
EDJ-MED-accc2c4d-3
0.566
ALP-POS-ecbed2ba-22
0.559
MAT-POS-853c0ffa-16
0.558
EDJ-MED-4138fde9-8
0.556
EDJ-MED-accc2c4d-1
0.556
MAT-POS-853c0ffa-8
0.556
EDJ-MED-7587a9ee-3
0.551
ALP-POS-ecbed2ba-2
0.550
MAT-POS-853c0ffa-15
0.546
MAT-POS-853c0ffa-7
0.543
ALP-POS-ecbed2ba-13
0.543
PET-UNK-c6bcc80b-4
0.537
PET-UNK-c6bcc80b-11
0.537
LUO-POS-ed2cfb03-2
0.537
EDJ-MED-ee81482e-5
0.536
EDJ-MED-4138fde9-4
0.536
MAT-POS-853c0ffa-6
0.535
ALP-POS-ecbed2ba-5
0.535
EDJ-MED-4138fde9-9
0.531
ALP-POS-ecbed2ba-20
0.529
ALP-POS-ecbed2ba-18
0.528
ALP-POS-ecbed2ba-21
0.527
ALP-POS-ecbed2ba-17
0.523
LUO-POS-ed2cfb03-1
0.520
MAT-POS-853c0ffa-5
0.519
MAT-POS-1d5ab790-1
0.519
EDJ-MED-accc2c4d-4
0.516