Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccc(F)cc23)CN(C(C)=O)Cc2ccc(Cl)cc21 |
MW: | 427.11 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 71.53 |
cLogP: | 3.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-9bf1291a-3
0.791
EDJ-MED-923a35c2-5
0.728
EDJ-MED-670ad2ee-3
0.728
EDJ-MED-841e0cf0-3
0.728
PET-UNK-9bf1291a-4
0.705
PET-UNK-b566c0b0-8
0.698
PET-UNK-c65ea24c-13
0.695
PET-UNK-c65ea24c-15
0.667
PET-UNK-c65ea24c-18
0.649
PET-UNK-c65ea24c-14
0.635
PET-UNK-c65ea24c-17
0.635
PET-UNK-9b23ef84-1
0.629
PET-UNK-c65ea24c-16
0.629
PET-UNK-1b92fa34-6
0.615
PET-UNK-03fd2068-10
0.604
PET-UNK-bcc8fd08-5
0.598
FRA-DIA-6238d354-1
0.578
EDJ-MED-923a35c2-1
0.578
PET-UNK-b78139fa-16
0.573
MAT-POS-a5ef2d74-2
0.571
MAT-POS-ec6d90b7-4
0.571
EDJ-MED-611d11e7-4
0.571
MAT-POS-89bd6af1-4
0.570
MIC-UNK-ea4eb352-2
0.570
EDJ-MED-b1cef252-1
0.570
MAT-POS-83a7b0a0-1
0.570
PET-UNK-9bf1291a-1
0.570
ALP-POS-5290f14d-1
0.570
PET-UNK-9bf1291a-5
0.559
PET-UNK-03fd2068-9
0.558
PET-UNK-1b92fa34-8
0.549
PET-UNK-88d26eaf-1
0.548
EDJ-MED-cf877e1d-2
0.548
PET-UNK-4b4f2bb7-6
0.545
PET-UNK-b38839dc-22
0.538
PET-UNK-b566c0b0-9
0.537
PET-UNK-f4e47ebd-25
0.534
PET-UNK-757f8bc8-3
0.533
PET-UNK-9b23ef84-12
0.528
PET-UNK-9b23ef84-8
0.528
PET-UNK-757f8bc8-4
0.528
PET-UNK-9b23ef84-4
0.528
PET-UNK-b38839dc-25
0.523
PET-UNK-6da3dcd8-5
0.518
PET-UNK-03fd2068-7
0.515
PET-UNK-757f8bc8-2
0.514
PET-UNK-f4e47ebd-26
0.509
PET-UNK-c65ea24c-1
0.509
PET-UNK-b38839dc-23
0.509
PET-UNK-757f8bc8-1
0.509
EDJ-MED-923a35c2-4
0.505
PET-UNK-f4e47ebd-24
0.505
EDJ-MED-b1cef252-2
0.504
PET-UNK-6da3dcd8-8
0.504
MAT-POS-83a7b0a0-2
0.504
MAT-POS-89bd6af1-2
0.504
PET-UNK-6da3dcd8-15
0.500
PET-UNK-6da3dcd8-18
0.496
PET-UNK-bcc8fd08-2
0.495
PET-UNK-c65ea24c-7
0.491
PET-UNK-b38839dc-26
0.491
PET-UNK-f4e47ebd-27
0.491
EDJ-MED-923a35c2-2
0.486
MIC-UNK-ea4eb352-10
0.486
EDJ-MED-841e0cf0-2
0.486
EDJ-MED-670ad2ee-2
0.486
PET-UNK-4d432d33-3
0.482
PET-UNK-4d432d33-7
0.482
PET-UNK-c65ea24c-3
0.481
PET-UNK-1b92fa34-5
0.481
PET-UNK-bcc8fd08-4
0.473
PET-UNK-fe31e24a-7
0.472
PET-UNK-1abb40f2-2
0.472
PET-UNK-1abb40f2-4
0.472
PET-UNK-49566573-3
0.469
PET-UNK-ad758083-1
0.468
PET-UNK-329a9ce9-5
0.468
PET-UNK-4d432d33-4
0.468
PET-UNK-4d432d33-8
0.468
PET-UNK-b566c0b0-2
0.468
PET-UNK-c65ea24c-6
0.467
PET-UNK-49566573-4
0.466
PET-UNK-329a9ce9-6
0.464
MAT-POS-a334828f-3
0.464
PET-UNK-fe31e24a-8
0.464
PET-UNK-c65ea24c-9
0.464
PET-UNK-b566c0b0-1
0.463
MAT-POS-c88128cb-12
0.462
PET-UNK-c65ea24c-2
0.459
PET-UNK-b38839dc-21
0.459
EDJ-MED-670ad2ee-11
0.458
EDJ-MED-841e0cf0-8
0.458
EDJ-MED-670ad2ee-12
0.458
MAR-UCB-6ab2ec87-3
0.456
PET-UNK-bcc8fd08-6
0.456
EDJ-MED-e9a22d5d-2
0.456
PET-UNK-6e612674-5
0.455
PET-UNK-6e612674-13
0.455
BEN-DND-a02b439d-12
0.453
PET-UNK-ad758083-2
0.452