Molecular Properties | |
SMILES: | O=C(CN1CC2(CCN(c3cncc4ccc(OCCNCC(F)(F)F)cc34)C2=O)c2cc(Cl)ccc2C1=O)NCC1(F)CC1 |
MW: | 647.19 |
Fraction sp3: | 0.42 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 103.87 |
cLogP: | 4.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
high halogen content (>3)
EDJ-MED-3af0740c-3
0.862
EDJ-MED-4138fde9-6
0.705
EDJ-MED-3af0740c-1
0.664
MAT-POS-38eb6498-4
0.656
EDJ-MED-b6c6ee2b-5
0.656
MAT-POS-ddfe83c6-1
0.616
EDJ-MED-4138fde9-4
0.616
MIK-ENA-434a856c-1
0.608
EDJ-MED-4cb9dd84-2
0.608
MIK-ENA-93ef1e28-1
0.608
MIK-ENA-26b331e0-1
0.603
EDG-MED-b1ef7fe3-1
0.585
LUO-POS-8c3e556a-1
0.585
LUO-POS-8c3e556a-2
0.585
EDJ-MED-4138fde9-5
0.585
EDJ-MED-33064c06-2
0.583
EDG-MED-b1ef7fe3-2
0.575
EDJ-MED-b6c6ee2b-6
0.575
EDJ-MED-4138fde9-2
0.569
EDJ-MED-33064c06-14
0.569
EDJ-MED-33064c06-8
0.566
EDJ-MED-33064c06-5
0.557
EDJ-MED-33064c06-3
0.553
EDJ-MED-33064c06-10
0.553
EDJ-MED-33064c06-1
0.550
EDJ-MED-33064c06-17
0.549
LUO-POS-e1dab717-8
0.546
EDJ-MED-33064c06-12
0.545
MAT-POS-38eb6498-6
0.542
EDJ-MED-4cb9dd84-1
0.542
EDJ-MED-dfa1d800-5
0.538
ALP-POS-c3a90b22-11
0.530
EDJ-MED-dfa1d800-1
0.528
EDJ-MED-dfa1d800-4
0.527
MIK-ENA-37e0b697-1
0.523
MIK-ENA-794411b8-1
0.523
PET-UNK-14142a25-10
0.523
EDJ-MED-8bb691af-8
0.523
LUO-POS-9931618f-1
0.523
PET-UNK-14142a25-1
0.523
LUO-POS-9931618f-2
0.523
EDJ-MED-33064c06-18
0.523
EDJ-MED-dfa1d800-3
0.517
JOH-MSK-4bb3d434-1
0.515
EDJ-MED-33064c06-9
0.515
ALP-POS-c3a90b22-12
0.515
EDJ-MED-33064c06-4
0.515
EDJ-MED-dfa1d800-2
0.514
EDG-MED-b1ef7fe3-4
0.512
PET-UNK-c6bcc80b-13
0.507
PET-UNK-c6bcc80b-6
0.507
EDJ-MED-33064c06-6
0.507
EDG-MED-b1ef7fe3-3
0.500
EDJ-MED-5cd3920d-3
0.500
EDJ-MED-4138fde9-3
0.500
EDJ-MED-33064c06-15
0.493
LUO-POS-e1dab717-6
0.489
EDJ-MED-b6c6ee2b-1
0.476
MAT-POS-38eb6498-3
0.476
EDJ-MED-7d88f880-1
0.475
EDJ-MED-40e596c8-4
0.475
MAT-POS-e75f6e44-2
0.474
MAT-POS-853c0ffa-1
0.471
MAT-POS-1d5ab790-3
0.471
ALP-POS-c3a90b22-5
0.471
LUO-POS-e1dab717-4
0.471
LUO-POS-e1dab717-7
0.469
MIK-ENA-30ee93be-1
0.460
MAT-POS-1a788f51-4
0.458
EDJ-MED-b6c6ee2b-7
0.457
MAT-POS-e75f6e44-15
0.457
EDJ-MED-3af0740c-5
0.455
EDJ-MED-4138fde9-1
0.453
EDJ-MED-40e596c8-5
0.453
PET-UNK-14142a25-2
0.453
PET-UNK-14142a25-11
0.453
PET-UNK-37c7074c-1
0.453
PET-UNK-37c7074c-3
0.453
PET-UNK-aa57768f-3
0.451
PET-UNK-aa57768f-8
0.451
PET-UNK-aa57768f-9
0.451
PET-UNK-aa57768f-2
0.451
EDJ-MED-0d144977-5
0.450
EDJ-MED-5cd3920d-4
0.448
EDJ-MED-0d144977-1
0.443
PET-UNK-6af7266d-1
0.442
PET-UNK-6af7266d-3
0.442
MAT-POS-1a788f51-3
0.442
MAT-POS-853c0ffa-19
0.440
EDJ-MED-0d144977-4
0.440
EDJ-MED-cc48ee33-2
0.434
MAT-POS-1a788f51-1
0.433
PET-UNK-4c71d490-7
0.433
EDJ-MED-cc48ee33-7
0.433
PET-UNK-4c71d490-3
0.433
EDJ-MED-0d144977-3
0.433
PET-UNK-37c7074c-2
0.432
PET-UNK-37c7074c-4
0.432
EDJ-MED-d4864bdc-4
0.430
EDJ-MED-b6c6ee2b-2
0.430