Molecule Details
| Molecular Properties | |
| SMILES: | C=C(CN1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccc(OCCN(C)C)cc34)C2=O)C1)C(=O)NC |
| MW: | 547.24 |
| Fraction sp3: | 0.37 |
| HBA: | 6 |
| HBD: | 1 |
| Rotatable Bonds: | 8 |
| TPSA: | 78.01 |
| cLogP: | 3.62 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAT-POS-38eb6498-3
0.866
EDJ-MED-b6c6ee2b-1
0.866
MIK-ENA-26b331e0-1
0.782
MIK-ENA-f73d8b60-1
0.768
MIK-ENA-4a1c9a78-1
0.735
MIK-ENA-1494235a-1
0.735
MIK-ENA-4ed700b1-1
0.735
LUO-POS-e1dab717-7
0.715
EDJ-MED-b6c6ee2b-2
0.678
MAT-POS-853c0ffa-19
0.648
EDJ-MED-b6c6ee2b-5
0.643
MAT-POS-38eb6498-4
0.643
MAT-POS-ddfe83c6-6
0.641
MAT-POS-853c0ffa-10
0.638
MAT-POS-853c0ffa-9
0.634
MIK-ENA-7066949b-1
0.634
LUO-POS-8484f2d3-2
0.634
MAT-POS-38eb6498-1
0.634
LUO-POS-8484f2d3-1
0.634
MIK-ENA-8063e9dc-1
0.634
MIK-ENA-9eb8d9fb-1
0.624
MAT-POS-c7726e07-5
0.624
MAT-POS-c7726e07-6
0.624
LUO-POS-868e8996-11
0.624
LUO-POS-868e8996-12
0.624
EDJ-MED-8bb691af-4
0.624
LUO-POS-e1dab717-8
0.614
LUO-POS-b4dec3be-1
0.607
MIK-ENA-4bb8c98f-1
0.607
MIK-ENA-610c7cf9-1
0.607
LUO-POS-b4dec3be-2
0.607
MAT-POS-b4d6b7fc-5
0.607
EDJ-MED-4138fde9-3
0.600
MAT-POS-38eb6498-5
0.597
EDJ-MED-4cb9dd84-3
0.589
MAT-POS-e75f6e44-10
0.587
EDJ-MED-33064c06-16
0.587
EDJ-MED-d4864bdc-4
0.584
LUO-POS-e1dab717-19
0.580
MAT-POS-69786b79-3
0.573
MAT-POS-e75f6e44-7
0.571
MAT-POS-40ad851a-4
0.569
MAT-POS-566864e2-2
0.568
MAT-POS-566864e2-1
0.568
MAT-POS-e75f6e44-1
0.568
ALP-POS-ecbed2ba-14
0.568
ALP-POS-ecbed2ba-12
0.568
MAT-POS-e75f6e44-6
0.567
ALP-POS-c3a90b22-6
0.565
EDJ-MED-6b23330e-1
0.563
EDJ-MED-6b23330e-5
0.563
EDJ-MED-6b23330e-7
0.563
MAT-POS-e75f6e44-2
0.563
MAT-POS-e75f6e44-3
0.563
EDJ-MED-6b23330e-2
0.563
MAT-POS-e75f6e44-4
0.563
EDJ-MED-6b23330e-3
0.562
MAT-POS-40ad851a-2
0.561
EDJ-MED-6b23330e-4
0.559
EDJ-MED-4138fde9-4
0.557
MAT-POS-69786b79-2
0.556
MAT-POS-e75f6e44-5
0.556
BRU-THA-ae0174a8-1
0.556
MAT-POS-e75f6e44-13
0.555
MAT-POS-e75f6e44-15
0.555
MAT-POS-e75f6e44-19
0.555
EDJ-MED-6b23330e-6
0.555
MAT-POS-40ad851a-3
0.554
MAT-POS-e75f6e44-14
0.550
ALP-POS-133e7cd9-1
0.548
MAT-POS-e75f6e44-17
0.547
MAT-POS-1a788f51-1
0.544
EDJ-MED-4138fde9-1
0.543
MAT-POS-69786b79-4
0.543
MAT-POS-e75f6e44-12
0.543
MAT-POS-e75f6e44-8
0.542
MAT-POS-e75f6e44-9
0.542
MAT-POS-e75f6e44-21
0.542
MAT-POS-e75f6e44-16
0.542
LUO-POS-e1dab717-5
0.538
MAT-POS-e75f6e44-11
0.538
MAT-POS-1a788f51-2
0.536
MAT-POS-e75f6e44-18
0.534
MAT-POS-e75f6e44-20
0.534
EDJ-MED-ee81482e-3
0.531
MAT-POS-b4d6b7fc-7
0.530
MAT-POS-1a788f51-4
0.524
MAT-POS-1d5ab790-2
0.523
MAT-POS-b4d6b7fc-6
0.523
EDJ-MED-40e596c8-1
0.520
PET-UNK-c6bcc80b-5
0.519
PET-UNK-c6bcc80b-12
0.519
MAT-POS-40ad851a-5
0.517
MAT-POS-1a788f51-3
0.517
EDJ-MED-468565e0-2
0.517
EDJ-MED-4138fde9-5
0.514
EDJ-MED-468565e0-1
0.514
EDJ-MED-468565e0-5
0.514
VLA-UNK-3bd6fc51-1
0.512
EDJ-MED-dfa1d800-2
0.510