Molecular Properties | |
SMILES: | Cn1nccc1C(=O)N1CC2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2C1=O |
MW: | 485.13 |
Fraction sp3: | 0.19 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 88.4 |
cLogP: | 3.59 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
MAT-POS-4223bc15-40
LUO-POS-9931618f-2
0.676
PET-UNK-14142a25-10
0.676
EDJ-MED-8bb691af-8
0.676
PET-UNK-14142a25-1
0.676
MIK-ENA-37e0b697-1
0.676
LUO-POS-9931618f-1
0.676
MIK-ENA-794411b8-1
0.676
EDJ-MED-cc48ee33-7
0.664
EDJ-MED-0d144977-3
0.664
JOH-MSK-4bb3d434-1
0.664
EDJ-MED-cc48ee33-3
0.661
EDJ-MED-33064c06-2
0.655
EDJ-MED-33064c06-5
0.652
EDJ-MED-33064c06-8
0.649
EDJ-MED-33064c06-3
0.646
ALP-POS-c3a90b22-5
0.645
EDJ-MED-3af0740c-1
0.643
EDJ-MED-33064c06-1
0.643
EDJ-MED-33064c06-12
0.637
EDJ-MED-33064c06-14
0.637
EDJ-MED-33064c06-10
0.632
EDJ-MED-33064c06-17
0.626
EDJ-MED-33064c06-18
0.625
EDJ-MED-4cb9dd84-1
0.619
EDJ-MED-33064c06-6
0.615
EDJ-MED-33064c06-15
0.614
EDJ-MED-0d144977-4
0.614
EDJ-MED-33064c06-9
0.612
ALP-POS-c3a90b22-12
0.612
PET-UNK-aa57768f-8
0.611
PET-UNK-aa57768f-2
0.611
PET-UNK-aa57768f-3
0.611
PET-UNK-aa57768f-9
0.611
MAT-POS-e48723dc-2
0.611
LUO-POS-e1dab717-2
0.611
EDJ-MED-976a33d5-1
0.611
MAT-POS-576f7758-2
0.611
MAT-POS-e48723dc-1
0.611
PET-UNK-37c7074c-1
0.607
PET-UNK-37c7074c-3
0.607
EDJ-MED-98c0a822-4
0.603
ALP-POS-c3a90b22-3
0.603
EDJ-MED-33064c06-13
0.603
ALP-POS-c3a90b22-11
0.603
PET-UNK-aa57768f-1
0.602
PET-UNK-aa57768f-7
0.602
EDJ-MED-0d144977-2
0.602
ALP-POS-c3a90b22-1
0.600
EDJ-MED-98c0a822-3
0.600
EDJ-MED-0d144977-5
0.600
EDJ-MED-33064c06-4
0.598
PET-UNK-14142a25-2
0.593
PET-UNK-37c7074c-2
0.593
PET-UNK-37c7074c-4
0.593
PET-UNK-14142a25-11
0.593
EDJ-MED-0d144977-1
0.591
EDJ-MED-40e596c8-4
0.590
ALP-POS-c3a90b22-9
0.583
EDJ-MED-33064c06-11
0.583
PET-UNK-6af7266d-1
0.579
PET-UNK-6af7266d-3
0.579
EDJ-MED-40e596c8-5
0.578
EDJ-MED-59d5ca70-1
0.575
EDJ-MED-9f4ac58c-6
0.568
EDJ-MED-9f4ac58c-2
0.559
EDJ-MED-cc48ee33-4
0.556
ALP-POS-c3a90b22-8
0.555
EDJ-MED-cc48ee33-5
0.546
EDG-MED-b1ef7fe3-1
0.544
LUO-POS-8c3e556a-1
0.544
EDG-MED-b1ef7fe3-4
0.544
LUO-POS-8c3e556a-2
0.544
MAT-POS-be048f2c-8
0.541
PET-UNK-aa57768f-5
0.534
PET-UNK-aa57768f-6
0.534
PET-UNK-aa57768f-11
0.534
PET-UNK-aa57768f-12
0.534
EDG-MED-b1ef7fe3-2
0.534
EDJ-MED-b6c6ee2b-6
0.534
MAT-POS-be048f2c-6
0.533
MAT-POS-be048f2c-5
0.533
LUO-POS-868e8996-12
0.530
EDJ-MED-8bb691af-4
0.530
MAT-POS-c7726e07-5
0.530
LUO-POS-868e8996-11
0.530
MAT-POS-c7726e07-6
0.530
EDJ-MED-fed7ac0b-1
0.529
PET-UNK-aa57768f-4
0.529
PET-UNK-aa57768f-10
0.529
PET-UNK-14142a25-3
0.529
LUO-POS-e1dab717-14
0.529
PET-UNK-14142a25-12
0.529
LUO-POS-e1dab717-19
0.526
MAT-POS-e75f6e44-4
0.525
MAT-POS-38eb6498-6
0.525
EDJ-MED-6b23330e-2
0.525
EDJ-MED-6b23330e-5
0.525
EDJ-MED-7587a9ee-3
0.522
LUO-POS-ed2cfb03-2
0.522
VLA-UNK-61877630-5
0.521