Molecular Properties | |
SMILES: | CNC(=O)C1(N2CC3(CCN(c4cncc5ccccc45)C3=O)c3cc(Cl)ccc3C2=O)CCOCC1 |
MW: | 518.17 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 91.84 |
cLogP: | 3.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-c3a90b22-9
1.000
MAT-POS-e48723dc-1
0.879
LUO-POS-e1dab717-2
0.879
EDJ-MED-976a33d5-1
0.879
MAT-POS-576f7758-2
0.879
MAT-POS-e48723dc-2
0.879
ALP-POS-c3a90b22-1
0.861
EDJ-MED-98c0a822-3
0.861
ALP-POS-c3a90b22-3
0.827
EDJ-MED-33064c06-13
0.827
EDJ-MED-98c0a822-4
0.827
PET-UNK-14142a25-3
0.766
PET-UNK-14142a25-12
0.766
LUO-POS-e1dab717-14
0.766
EDJ-MED-59d5ca70-1
0.739
LUO-POS-e1dab717-4
0.713
EDJ-MED-b6c6ee2b-7
0.673
EDJ-MED-5cd3920d-4
0.670
EDJ-MED-8bb691af-8
0.667
PET-UNK-14142a25-10
0.667
LUO-POS-9931618f-1
0.667
PET-UNK-14142a25-1
0.667
MIK-ENA-37e0b697-1
0.667
MIK-ENA-794411b8-1
0.667
LUO-POS-9931618f-2
0.667
EDJ-MED-7d88f880-2
0.658
EDJ-MED-5cd3920d-3
0.655
LUO-POS-e1dab717-6
0.655
EDJ-MED-976a33d5-2
0.650
LUO-POS-e1dab717-10
0.650
EDJ-MED-33064c06-7
0.650
ALP-POS-c3a90b22-10
0.647
PET-UNK-4c71d490-4
0.643
PET-UNK-4c71d490-8
0.643
ALP-POS-c3a90b22-5
0.637
LUO-POS-e1dab717-8
0.637
PET-UNK-14142a25-5
0.632
PET-UNK-14142a25-14
0.632
EDJ-MED-fed7ac0b-2
0.629
JOH-MSK-4bb3d434-1
0.625
PET-UNK-14142a25-9
0.621
PET-UNK-14142a25-18
0.621
EDJ-MED-dfa1d800-2
0.620
EDJ-MED-4138fde9-5
0.618
PET-UNK-4c71d490-2
0.605
PET-UNK-4c71d490-6
0.605
ALP-POS-c3a90b22-12
0.605
EDJ-MED-33064c06-9
0.605
PET-UNK-aa57768f-3
0.604
PET-UNK-aa57768f-9
0.604
EDJ-MED-33064c06-5
0.602
PET-UNK-37c7074c-2
0.600
PET-UNK-37c7074c-4
0.600
PET-UNK-14142a25-2
0.600
PET-UNK-14142a25-11
0.600
EDJ-MED-33064c06-8
0.598
EDJ-MED-4cb9dd84-1
0.598
EDJ-MED-33064c06-3
0.597
EDJ-MED-33064c06-1
0.593
EDJ-MED-33064c06-2
0.590
EDJ-MED-33064c06-18
0.590
PET-UNK-aa57768f-2
0.589
PET-UNK-aa57768f-8
0.589
EDJ-MED-dfa1d800-1
0.589
EDJ-MED-dfa1d800-5
0.589
EDJ-MED-33064c06-12
0.588
PET-UNK-14142a25-16
0.587
PET-UNK-14142a25-7
0.587
EDJ-MED-40e596c8-5
0.585
EDJ-MED-33064c06-10
0.583
EDJ-MED-cc48ee33-2
0.583
ALP-POS-c3a90b22-11
0.583
EDJ-MED-98c0a822-2
0.583
EDJ-MED-33064c06-6
0.582
EDJ-MED-976a33d5-3
0.581
EDJ-MED-3af0740c-1
0.580
EDJ-MED-33064c06-15
0.580
ALP-POS-c3a90b22-4
0.580
EDJ-MED-33064c06-4
0.579
MAT-POS-566864e2-4
0.578
ALP-POS-ecbed2ba-7
0.578
MAT-POS-576f7758-1
0.578
MAT-POS-69786b79-1
0.578
LUO-POS-e1dab717-1
0.578
MAT-POS-566864e2-3
0.578
EDJ-MED-7e491f08-2
0.576
EDJ-MED-dfa1d800-4
0.576
EDJ-MED-33064c06-14
0.575
PET-UNK-6af7266d-1
0.573
PET-UNK-37c7074c-1
0.573
PET-UNK-37c7074c-3
0.573
PET-UNK-6af7266d-3
0.573
EDJ-MED-0d144977-1
0.571
EDJ-MED-0d144977-3
0.571
EDJ-MED-cc48ee33-7
0.571
EDJ-MED-40e596c8-4
0.570
ALP-POS-c3a90b22-2
0.568
PET-UNK-aa57768f-1
0.568
PET-UNK-aa57768f-7
0.568
EDJ-MED-0d144977-2
0.568