Molecular Properties | |
SMILES: | O=C(CN1CC2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2C1=O)NCC1(F)CC1 |
MW: | 506.15 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 82.61 |
cLogP: | 3.64 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-33064c06-2
0.856
EDJ-MED-33064c06-8
0.847
EDJ-MED-33064c06-5
0.830
EDJ-MED-33064c06-14
0.830
EDJ-MED-33064c06-3
0.822
EDJ-MED-33064c06-10
0.822
EDJ-MED-33064c06-17
0.814
EDJ-MED-33064c06-1
0.802
EDJ-MED-33064c06-12
0.794
LUO-POS-9931618f-1
0.794
PET-UNK-14142a25-1
0.794
MIK-ENA-37e0b697-1
0.794
MIK-ENA-794411b8-1
0.794
LUO-POS-9931618f-2
0.794
EDJ-MED-8bb691af-8
0.794
PET-UNK-14142a25-10
0.794
EDJ-MED-4cb9dd84-1
0.792
ALP-POS-c3a90b22-11
0.769
ALP-POS-c3a90b22-12
0.762
EDJ-MED-33064c06-9
0.762
EDJ-MED-33064c06-4
0.762
JOH-MSK-4bb3d434-1
0.760
EDJ-MED-33064c06-6
0.748
EDJ-MED-33064c06-18
0.748
EDJ-MED-33064c06-15
0.733
MAT-POS-e75f6e44-2
0.708
ALP-POS-c3a90b22-5
0.689
EDJ-MED-40e596c8-4
0.688
PET-UNK-aa57768f-2
0.686
PET-UNK-aa57768f-3
0.686
PET-UNK-aa57768f-8
0.686
PET-UNK-aa57768f-9
0.686
PET-UNK-37c7074c-1
0.679
PET-UNK-37c7074c-3
0.679
PET-UNK-14142a25-2
0.679
PET-UNK-14142a25-11
0.679
EDJ-MED-3af0740c-2
0.664
MAT-POS-e75f6e44-15
0.664
EDG-MED-b1ef7fe3-4
0.657
EDJ-MED-3af0740c-5
0.652
PET-UNK-37c7074c-2
0.648
PET-UNK-37c7074c-4
0.648
PET-UNK-6af7266d-3
0.648
PET-UNK-6af7266d-1
0.648
EDJ-MED-0d144977-3
0.645
EDJ-MED-cc48ee33-7
0.645
EDJ-MED-0d144977-1
0.645
EDJ-MED-40e596c8-5
0.645
EDJ-MED-cc48ee33-2
0.643
EDJ-MED-b6c6ee2b-6
0.642
PET-UNK-aa57768f-1
0.642
PET-UNK-aa57768f-7
0.642
EDG-MED-b1ef7fe3-2
0.642
EDJ-MED-0d144977-2
0.642
EDG-MED-b1ef7fe3-1
0.642
LUO-POS-8c3e556a-1
0.642
LUO-POS-8c3e556a-2
0.642
EDG-MED-b1ef7fe3-3
0.636
MIK-ENA-434a856c-1
0.636
EDJ-MED-4cb9dd84-2
0.636
MIK-ENA-93ef1e28-1
0.636
VLA-UNK-61877630-5
0.627
VLA-UNK-8e615992-2
0.627
EDJ-MED-0d144977-5
0.625
EDJ-MED-0d144977-4
0.625
LUO-POS-e1dab717-2
0.622
EDJ-MED-976a33d5-1
0.622
MAT-POS-576f7758-2
0.622
MAT-POS-e48723dc-2
0.622
MAT-POS-e48723dc-1
0.622
ALP-POS-c3a90b22-8
0.619
MAT-POS-38eb6498-6
0.616
MAT-POS-ddfe83c6-1
0.616
EDJ-MED-59d5ca70-1
0.612
ALP-POS-afe0272e-2
0.611
ALP-POS-c3a90b22-1
0.611
EDJ-MED-98c0a822-3
0.611
MAT-POS-e75f6e44-5
0.607
VLA-UNK-61877630-4
0.604
VLA-UNK-8e615992-1
0.604
PET-UNK-4c71d490-3
0.602
PET-UNK-4c71d490-7
0.602
EDJ-MED-6b23330e-5
0.602
MAT-POS-e75f6e44-4
0.602
ALP-POS-c3a90b22-3
0.600
EDJ-MED-33064c06-13
0.600
EDJ-MED-98c0a822-4
0.600
EDJ-MED-7d88f880-1
0.600
MAT-POS-e75f6e44-1
0.593
MAT-POS-e75f6e44-19
0.591
PET-UNK-aa57768f-5
0.586
PET-UNK-aa57768f-6
0.586
PET-UNK-aa57768f-11
0.586
PET-UNK-aa57768f-12
0.586
MAT-POS-e75f6e44-7
0.583
MAT-POS-e75f6e44-17
0.583
EDJ-MED-9f4ac58c-2
0.583
ALP-POS-c3a90b22-9
0.580
EDJ-MED-33064c06-11
0.580
BRU-THA-ae0174a8-1
0.579