Molecular Properties | |
SMILES: | CNC(=O)C1(N2CC3(CCN(c4cncc5ccccc45)C3=O)c3cc(Cl)ccc3C2=O)CCC1 |
MW: | 488.16 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 82.61 |
cLogP: | 3.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-c3a90b22-1
1.000
MAT-POS-e48723dc-1
0.935
EDJ-MED-976a33d5-1
0.935
LUO-POS-e1dab717-2
0.935
MAT-POS-576f7758-2
0.935
MAT-POS-e48723dc-2
0.935
ALP-POS-c3a90b22-9
0.861
EDJ-MED-33064c06-11
0.861
EDJ-MED-98c0a822-4
0.840
EDJ-MED-33064c06-13
0.840
ALP-POS-c3a90b22-3
0.840
PET-UNK-14142a25-3
0.830
LUO-POS-e1dab717-14
0.830
PET-UNK-14142a25-12
0.830
EDJ-MED-59d5ca70-1
0.764
LUO-POS-e1dab717-4
0.738
EDJ-MED-b6c6ee2b-7
0.710
LUO-POS-9931618f-2
0.706
PET-UNK-14142a25-10
0.706
EDJ-MED-8bb691af-8
0.706
MIK-ENA-37e0b697-1
0.706
LUO-POS-9931618f-1
0.706
PET-UNK-14142a25-1
0.706
MIK-ENA-794411b8-1
0.706
EDJ-MED-7d88f880-2
0.694
EDJ-MED-5cd3920d-4
0.691
EDJ-MED-5cd3920d-3
0.691
LUO-POS-e1dab717-6
0.691
EDJ-MED-976a33d5-2
0.685
EDJ-MED-33064c06-7
0.685
LUO-POS-e1dab717-10
0.685
PET-UNK-4c71d490-4
0.679
PET-UNK-4c71d490-8
0.679
ALP-POS-c3a90b22-5
0.673
JOH-MSK-4bb3d434-1
0.660
LUO-POS-e1dab717-8
0.655
PET-UNK-14142a25-18
0.655
PET-UNK-14142a25-9
0.655
EDJ-MED-4138fde9-5
0.650
EDJ-MED-fed7ac0b-2
0.649
PET-UNK-14142a25-2
0.648
PET-UNK-14142a25-11
0.648
ALP-POS-c3a90b22-2
0.642
EDJ-MED-98c0a822-1
0.640
PET-UNK-4c71d490-2
0.637
PET-UNK-4c71d490-6
0.637
EDJ-MED-33064c06-5
0.634
EDJ-MED-33064c06-14
0.634
PET-UNK-14142a25-7
0.632
PET-UNK-14142a25-16
0.632
EDJ-MED-dfa1d800-1
0.631
EDJ-MED-33064c06-3
0.628
EDJ-MED-33064c06-1
0.625
PET-UNK-14142a25-5
0.623
PET-UNK-14142a25-14
0.623
PET-UNK-aa57768f-9
0.623
PET-UNK-aa57768f-2
0.623
PET-UNK-aa57768f-3
0.623
PET-UNK-aa57768f-8
0.623
EDJ-MED-33064c06-2
0.622
EDJ-MED-33064c06-18
0.622
EDJ-MED-33064c06-12
0.619
PET-UNK-37c7074c-2
0.618
PET-UNK-37c7074c-4
0.618
EDJ-MED-dfa1d800-5
0.618
EDJ-MED-33064c06-8
0.616
EDJ-MED-4cb9dd84-1
0.616
EDJ-MED-33064c06-10
0.614
ALP-POS-c3a90b22-11
0.614
EDJ-MED-976a33d5-3
0.613
EDJ-MED-3af0740c-1
0.611
EDJ-MED-33064c06-15
0.611
ALP-POS-ecbed2ba-7
0.609
LUO-POS-e1dab717-1
0.609
MAT-POS-566864e2-4
0.609
MAT-POS-69786b79-1
0.609
MAT-POS-576f7758-1
0.609
MAT-POS-566864e2-3
0.609
EDJ-MED-7e491f08-2
0.607
EDJ-MED-d4864bdc-2
0.607
EDJ-MED-4138fde9-6
0.606
PET-UNK-6af7266d-3
0.604
PET-UNK-6af7266d-1
0.604
EDJ-MED-dfa1d800-4
0.603
EDJ-MED-40e596c8-5
0.602
EDJ-MED-cc48ee33-2
0.600
EDJ-MED-40e596c8-4
0.600
EDJ-MED-dfa1d800-2
0.598
EDJ-MED-33064c06-6
0.598
EDJ-MED-0d144977-2
0.598
EDJ-MED-0d144977-4
0.596
EDJ-MED-33064c06-4
0.595
EDJ-MED-33064c06-17
0.595
EDJ-MED-33064c06-9
0.595
ALP-POS-c3a90b22-12
0.595
PET-UNK-37c7074c-1
0.589
PET-UNK-37c7074c-3
0.589
EDJ-MED-dfa1d800-3
0.589
EDJ-MED-cc48ee33-7
0.588
EDJ-MED-0d144977-3
0.588