Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccccc23)CN(S(C)(=O)=O)Cc2cc(F)c(Cl)cc21 |
MW: | 463.08 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 88.6 |
cLogP: | 3.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-f4e47ebd-29
PET-UNK-f4e47ebd-27
PET-UNK-f4e47ebd-26
PET-UNK-f4e47ebd-25
PET-UNK-f4e47ebd-23
PET-UNK-f4e47ebd-14
PET-UNK-f4e47ebd-12
PET-UNK-f4e47ebd-11
PET-UNK-f4e47ebd-7
PET-UNK-f4e47ebd-6
PET-UNK-f4e47ebd-28
PET-UNK-f4e47ebd-24
PET-UNK-f4e47ebd-20
PET-UNK-f4e47ebd-19
PET-UNK-f4e47ebd-18
PET-UNK-f4e47ebd-16
PET-UNK-f4e47ebd-10
PET-UNK-f4e47ebd-31
PET-UNK-f4e47ebd-30
PET-UNK-f4e47ebd-21
PET-UNK-f4e47ebd-13
PET-UNK-f4e47ebd-9
PET-UNK-f4e47ebd-3
PET-UNK-f4e47ebd-2
PET-UNK-f4e47ebd-4
PET-UNK-f4e47ebd-5
PET-UNK-f4e47ebd-17
PET-UNK-f4e47ebd-1
PET-UNK-f4e47ebd-22
PET-UNK-f4e47ebd-15
PET-UNK-f4e47ebd-8
EDJ-MED-670ad2ee-2
1.000
MIC-UNK-ea4eb352-10
1.000
EDJ-MED-841e0cf0-1
0.811
EDJ-MED-670ad2ee-1
0.811
MIC-UNK-ea4eb352-6
0.811
PET-UNK-03fd2068-10
0.806
PET-UNK-03fd2068-11
0.771
PET-UNK-f4e47ebd-29
0.768
PET-UNK-f4e47ebd-28
0.768
EDJ-MED-923a35c2-2
0.763
PET-UNK-9bf1291a-1
0.753
ALP-POS-5290f14d-1
0.753
MIC-UNK-ea4eb352-2
0.753
PET-UNK-9b23ef84-1
0.745
MAT-POS-64942dd0-4
0.716
PET-UNK-f4e47ebd-30
0.703
PET-UNK-f4e47ebd-31
0.700
PET-UNK-9b23ef84-5
0.654
PET-UNK-9b23ef84-13
0.654
PET-UNK-9b23ef84-9
0.654
EDJ-MED-670ad2ee-3
0.634
EDJ-MED-841e0cf0-3
0.634
EDJ-MED-923a35c2-5
0.634
PET-UNK-1b92fa34-7
0.624
EDJ-MED-cf877e1d-2
0.621
PET-UNK-88d26eaf-1
0.621
PET-UNK-757f8bc8-3
0.619
PET-UNK-ad758083-1
0.610
BEN-DND-a02b439d-12
0.600
PET-UNK-bcc8fd08-4
0.600
PET-UNK-03fd2068-9
0.600
PET-UNK-757f8bc8-4
0.598
PET-UNK-0d6841fa-1
0.589
PET-UNK-6da3dcd8-5
0.586
PET-UNK-6da3dcd8-8
0.586
MAT-POS-83a7b0a0-2
0.586
MAT-POS-89bd6af1-2
0.586
EDJ-MED-b1cef252-2
0.586
PET-UNK-9bf1291a-3
0.584
PET-UNK-757f8bc8-2
0.582
PET-UNK-c65ea24c-1
0.579
PET-UNK-b38839dc-22
0.579
PET-UNK-f4e47ebd-25
0.577
PET-UNK-f4e47ebd-24
0.577
EDJ-MED-923a35c2-4
0.577
PET-UNK-757f8bc8-1
0.577
FRA-DIA-6238d354-1
0.575
EDJ-MED-923a35c2-1
0.575
PET-UNK-6da3dcd8-2
0.559
VLA-UNK-a5257d84-1
0.559
PET-UNK-9bf1291a-5
0.557
MIC-UNK-ea4eb352-12
0.553
EDJ-MED-b1cef252-1
0.552
MAT-POS-89bd6af1-4
0.552
MAT-POS-83a7b0a0-1
0.552
PET-UNK-b38839dc-23
0.550
MAT-POS-993cdc78-1
0.543
ALP-POS-fe871b40-11
0.543
NIR-THE-3fc2bec4-1
0.543
ALP-POS-fe871b40-12
0.543
MIC-UNK-ea4eb352-11
0.543
MAT-POS-993cdc78-2
0.543
MIC-UNK-6e9f8a43-1
0.538
JOH-UNI-e398da21-2
0.538
PET-UNK-6da3dcd8-1
0.538
EDJ-MED-923a35c2-3
0.537
PET-UNK-f4e47ebd-26
0.536
MIC-UNK-ea4eb352-9
0.533
PET-UNK-f4e47ebd-27
0.532
PET-UNK-ad758083-2
0.531
MAT-POS-64942dd0-3
0.523
PET-UNK-757f8bc8-7
0.523
PET-UNK-b566c0b0-8
0.523
EDJ-MED-e9a22d5d-2
0.522
PET-UNK-1abb40f2-2
0.514
PET-UNK-1abb40f2-4
0.514
PET-UNK-9b23ef84-12
0.513
PET-UNK-9b23ef84-4
0.513
PET-UNK-9b23ef84-8
0.513
PET-UNK-1b92fa34-5
0.509
PET-UNK-c65ea24c-3
0.509
PET-UNK-c65ea24c-6
0.509
PET-UNK-4d432d33-3
0.509
PET-UNK-4d432d33-4
0.509
PET-UNK-4d432d33-7
0.509
PET-UNK-4d432d33-8
0.509
PET-UNK-bcc8fd08-5
0.509
PET-UNK-0d6841fa-2
0.509
MAR-UCB-6ab2ec87-3
0.500
BEN-DND-a02b439d-13
0.500
PET-UNK-b38839dc-21
0.500
PET-UNK-022eab87-2
0.500
PET-UNK-c65ea24c-2
0.500
PET-UNK-b566c0b0-9
0.496
EDJ-MED-82bd779b-1
0.496
DAR-DIA-9f765dc6-13
0.491
MIC-UNK-54748b58-2
0.491
DAR-DIA-9f765dc6-14
0.491
DAR-DIA-9f765dc6-15
0.491
PET-UNK-1b92fa34-8
0.491