Molecular Properties | |
SMILES: | O=C(CN1CC2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2C1=O)NCC1(O)CC1 |
MW: | 504.16 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 102.84 |
cLogP: | 2.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
EDJ-MED-33064c06-14
0.936
EDJ-MED-33064c06-2
0.865
EDJ-MED-3af0740c-1
0.847
EDJ-MED-33064c06-17
0.840
EDJ-MED-33064c06-5
0.838
EDJ-MED-33064c06-3
0.830
EDJ-MED-33064c06-10
0.830
EDJ-MED-33064c06-1
0.810
PET-UNK-14142a25-10
0.802
LUO-POS-9931618f-1
0.802
PET-UNK-14142a25-1
0.802
MIK-ENA-37e0b697-1
0.802
MIK-ENA-794411b8-1
0.802
LUO-POS-9931618f-2
0.802
EDJ-MED-8bb691af-8
0.802
EDJ-MED-33064c06-12
0.802
EDJ-MED-4cb9dd84-1
0.800
ALP-POS-c3a90b22-11
0.777
EDJ-MED-33064c06-18
0.772
ALP-POS-c3a90b22-12
0.769
EDJ-MED-33064c06-9
0.769
EDJ-MED-33064c06-4
0.769
JOH-MSK-4bb3d434-1
0.768
EDJ-MED-33064c06-15
0.757
EDJ-MED-33064c06-6
0.755
PET-UNK-aa57768f-2
0.710
PET-UNK-aa57768f-3
0.710
PET-UNK-aa57768f-8
0.710
PET-UNK-aa57768f-9
0.710
ALP-POS-c3a90b22-5
0.695
MAT-POS-e75f6e44-1
0.689
PET-UNK-14142a25-2
0.686
PET-UNK-14142a25-11
0.686
EDJ-MED-40e596c8-4
0.679
PET-UNK-37c7074c-2
0.670
PET-UNK-37c7074c-4
0.670
PET-UNK-6af7266d-3
0.670
PET-UNK-6af7266d-1
0.670
PET-UNK-aa57768f-1
0.664
PET-UNK-aa57768f-7
0.664
EDG-MED-b1ef7fe3-4
0.663
PET-UNK-37c7074c-1
0.654
PET-UNK-37c7074c-3
0.654
EDJ-MED-0d144977-1
0.651
EDJ-MED-40e596c8-5
0.651
EDJ-MED-0d144977-3
0.651
EDJ-MED-cc48ee33-7
0.651
EDJ-MED-cc48ee33-2
0.649
EDJ-MED-0d144977-2
0.648
EDG-MED-b1ef7fe3-1
0.648
LUO-POS-8c3e556a-1
0.648
LUO-POS-8c3e556a-2
0.648
MAT-POS-e75f6e44-17
0.645
MIK-ENA-434a856c-1
0.642
EDJ-MED-4cb9dd84-2
0.642
MIK-ENA-93ef1e28-1
0.642
ALP-POS-c3a90b22-8
0.640
EDJ-MED-b6c6ee2b-6
0.633
EDG-MED-b1ef7fe3-2
0.633
EDJ-MED-0d144977-4
0.631
EDJ-MED-0d144977-5
0.631
EDG-MED-b1ef7fe3-3
0.627
LUO-POS-e1dab717-2
0.627
EDJ-MED-976a33d5-1
0.627
MAT-POS-576f7758-2
0.627
MAT-POS-e48723dc-2
0.627
MAT-POS-e48723dc-1
0.627
MAT-POS-38eb6498-6
0.622
VLA-UNK-61877630-5
0.618
VLA-UNK-8e615992-2
0.618
EDJ-MED-59d5ca70-1
0.617
ALP-POS-afe0272e-2
0.617
ALP-POS-c3a90b22-1
0.616
EDJ-MED-98c0a822-3
0.616
MAT-POS-ddfe83c6-1
0.607
PET-UNK-aa57768f-5
0.606
PET-UNK-aa57768f-6
0.606
PET-UNK-aa57768f-11
0.606
PET-UNK-aa57768f-12
0.606
EDJ-MED-7d88f880-1
0.605
ALP-POS-c3a90b22-3
0.605
EDJ-MED-33064c06-13
0.605
EDJ-MED-98c0a822-4
0.605
EDJ-MED-9f4ac58c-2
0.602
EDJ-MED-33064c06-11
0.598
ALP-POS-c3a90b22-9
0.598
MAT-POS-e75f6e44-5
0.598
ALP-POS-ecbed2ba-14
0.598
VLA-UNK-61877630-4
0.595
VLA-UNK-8e615992-1
0.595
PET-UNK-4c71d490-3
0.593
PET-UNK-4c71d490-7
0.593
MAT-POS-e75f6e44-2
0.593
EDJ-MED-b6c6ee2b-5
0.583
MAT-POS-38eb6498-4
0.583
MAT-POS-e75f6e44-15
0.583
EDJ-MED-9f4ac58c-6
0.583
EDJ-MED-6b23330e-5
0.579
MAT-POS-e75f6e44-4
0.579
MAT-POS-e75f6e44-11
0.578