Molecule Details
| Molecular Properties | |
| SMILES: | C=C(CN1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccc(OCCNCC(F)(F)F)cc34)C2=O)C1)C(=O)NC |
| MW: | 601.21 |
| Fraction sp3: | 0.37 |
| HBA: | 6 |
| HBD: | 2 |
| Rotatable Bonds: | 9 |
| TPSA: | 86.8 |
| cLogP: | 4.21 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Aliphatic long chain
high halogen content (>3)
MIK-ENA-30ee93be-1
0.782
EDJ-MED-4138fde9-4
0.731
MIK-ENA-f73d8b60-1
0.723
EDJ-MED-b6c6ee2b-1
0.674
MAT-POS-38eb6498-3
0.674
MIK-ENA-1494235a-1
0.664
MIK-ENA-4ed700b1-1
0.664
MIK-ENA-4a1c9a78-1
0.664
EDJ-MED-4138fde9-2
0.652
EDJ-MED-b6c6ee2b-2
0.640
EDJ-MED-4138fde9-6
0.633
MAT-POS-ddfe83c6-6
0.605
EDJ-MED-4138fde9-3
0.604
EDJ-MED-3af0740c-2
0.603
LUO-POS-b4dec3be-1
0.598
MIK-ENA-610c7cf9-1
0.598
LUO-POS-b4dec3be-2
0.598
MAT-POS-b4d6b7fc-5
0.598
MIK-ENA-4bb8c98f-1
0.598
EDJ-MED-3af0740c-3
0.582
BRU-THA-ae0174a8-1
0.574
MIK-ENA-9eb8d9fb-1
0.567
MAT-POS-38eb6498-5
0.565
MAT-POS-c7726e07-5
0.563
LUO-POS-868e8996-12
0.563
MAT-POS-c7726e07-6
0.563
EDJ-MED-8bb691af-4
0.563
LUO-POS-868e8996-11
0.563
EDJ-MED-4cb9dd84-3
0.557
LUO-POS-e1dab717-7
0.557
EDJ-MED-4138fde9-1
0.549
EDJ-MED-6b23330e-6
0.549
EDJ-MED-6b23330e-2
0.534
EDJ-MED-6b23330e-7
0.534
EDJ-MED-6b23330e-3
0.533
MAT-POS-1a788f51-4
0.531
EDJ-MED-6b23330e-4
0.530
MAT-POS-e75f6e44-5
0.526
MAT-POS-e75f6e44-15
0.526
PET-UNK-c6bcc80b-5
0.525
PET-UNK-c6bcc80b-12
0.525
MAT-POS-1a788f51-3
0.524
LUO-POS-e1dab717-19
0.523
MAT-POS-e75f6e44-2
0.522
EDJ-MED-33064c06-16
0.522
MAT-POS-e75f6e44-10
0.522
EDJ-MED-4138fde9-5
0.521
MAT-POS-69786b79-3
0.519
MAT-POS-1a788f51-1
0.517
MAT-POS-69786b79-2
0.515
ALP-POS-ecbed2ba-12
0.515
MAT-POS-566864e2-2
0.515
ALP-POS-ecbed2ba-14
0.515
MAT-POS-566864e2-1
0.515
MAT-POS-e75f6e44-6
0.515
MAT-POS-e75f6e44-19
0.515
ALP-POS-c3a90b22-6
0.511
EDJ-MED-6b23330e-1
0.511
MAT-POS-e75f6e44-3
0.511
EDJ-MED-6b23330e-5
0.511
MAT-POS-e75f6e44-4
0.511
LUO-POS-e1dab717-5
0.511
MAT-POS-1a788f51-2
0.510
MAT-POS-e75f6e44-7
0.507
MAT-POS-e75f6e44-17
0.507
MAT-POS-e75f6e44-18
0.507
EDJ-MED-40e596c8-1
0.504
MAT-POS-e75f6e44-1
0.504
MAT-POS-e75f6e44-13
0.504
MAT-POS-b4d6b7fc-7
0.504
MAT-POS-e75f6e44-21
0.504
MAT-POS-853c0ffa-19
0.503
MAT-POS-40ad851a-4
0.500
EDJ-MED-468565e0-5
0.500
MAT-POS-853c0ffa-10
0.497
EDJ-MED-b6c6ee2b-5
0.497
MAT-POS-38eb6498-4
0.497
ALP-POS-133e7cd9-1
0.496
VLA-UNK-3bd6fc51-1
0.496
EDJ-MED-468565e0-2
0.493
MAT-POS-40ad851a-5
0.493
MAT-POS-38eb6498-1
0.493
LUO-POS-8484f2d3-1
0.493
MIK-ENA-7066949b-1
0.493
MAT-POS-853c0ffa-9
0.493
LUO-POS-8484f2d3-2
0.493
MIK-ENA-8063e9dc-1
0.493
MAT-POS-e75f6e44-9
0.493
MAT-POS-e75f6e44-8
0.493
MAT-POS-e75f6e44-16
0.493
MAT-POS-69786b79-4
0.493
MAT-POS-e75f6e44-12
0.493
EDJ-MED-468565e0-4
0.490
EDJ-MED-dfa1d800-5
0.490
EDJ-MED-468565e0-1
0.490
MAT-POS-e75f6e44-14
0.489
MAT-POS-e75f6e44-11
0.489
EDJ-MED-dfa1d800-2
0.487
MAT-POS-40ad851a-3
0.487
MAT-POS-e75f6e44-20
0.486