Molecular Properties | |
SMILES: | COC(C)(C)CS(=O)(=O)N1Cc2ccc(Cl)cc2[C@](OC)(C(=O)Nc2cncc3ccccc23)C1 |
MW: | 517.14 |
Fraction sp3: | 0.36 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 97.83 |
cLogP: | 3.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-757f8bc8-1
0.828
PET-UNK-757f8bc8-3
0.778
PET-UNK-757f8bc8-4
0.770
MIC-UNK-ea4eb352-2
0.742
ALP-POS-5290f14d-1
0.742
PET-UNK-9bf1291a-1
0.742
EDJ-MED-b1cef252-2
0.733
PET-UNK-6da3dcd8-8
0.733
MAT-POS-83a7b0a0-2
0.733
MAT-POS-89bd6af1-2
0.733
PET-UNK-757f8bc8-6
0.728
PET-UNK-757f8bc8-10
0.717
EDJ-MED-cf877e1d-2
0.713
PET-UNK-88d26eaf-1
0.713
PET-UNK-6da3dcd8-5
0.655
PET-UNK-9bf1291a-5
0.644
PET-UNK-9bf1291a-3
0.644
EDJ-MED-b1cef252-1
0.641
MAT-POS-83a7b0a0-1
0.641
MAT-POS-89bd6af1-4
0.641
PET-UNK-ad758083-1
0.620
EDJ-MED-e9a22d5d-2
0.618
PET-UNK-bcc8fd08-4
0.611
PET-UNK-0d6841fa-1
0.600
PET-UNK-ad758083-2
0.598
EDJ-MED-923a35c2-5
0.598
EDJ-MED-841e0cf0-3
0.598
EDJ-MED-670ad2ee-3
0.598
PET-UNK-757f8bc8-5
0.595
EDJ-MED-841e0cf0-1
0.594
EDJ-MED-670ad2ee-1
0.594
MIC-UNK-ea4eb352-6
0.594
PET-UNK-757f8bc8-7
0.591
MIC-UNK-ea4eb352-10
0.582
EDJ-MED-841e0cf0-2
0.582
EDJ-MED-670ad2ee-2
0.582
PET-UNK-9b23ef84-8
0.580
PET-UNK-9b23ef84-12
0.580
PET-UNK-9b23ef84-4
0.580
PET-UNK-757f8bc8-11
0.579
PET-UNK-b566c0b0-8
0.577
PET-UNK-c65ea24c-1
0.577
PET-UNK-f4e47ebd-24
0.574
PET-UNK-f4e47ebd-25
0.574
PET-UNK-0d6841fa-2
0.574
PET-UNK-757f8bc8-9
0.574
FRA-DIA-6238d354-1
0.573
EDJ-MED-923a35c2-1
0.573
PET-UNK-6da3dcd8-18
0.571
EDJ-MED-76744c27-2
0.570
EDJ-MED-76744c27-7
0.570
PET-UNK-03fd2068-9
0.568
EDJ-MED-82bd779b-1
0.561
PET-UNK-c65ea24c-7
0.557
PET-UNK-1b92fa34-5
0.551
PET-UNK-b38839dc-22
0.549
PET-UNK-4d432d33-3
0.549
PET-UNK-4d432d33-7
0.549
PET-UNK-b566c0b0-9
0.548
PET-UNK-757f8bc8-8
0.545
PET-UNK-757f8bc8-12
0.539
BEN-DND-a02b439d-12
0.537
PET-UNK-b38839dc-23
0.535
PET-UNK-f4e47ebd-26
0.535
PET-UNK-4d432d33-4
0.535
PET-UNK-4d432d33-8
0.535
PET-UNK-b38839dc-25
0.534
PET-UNK-f4e47ebd-27
0.531
MAT-POS-89bd6af1-1
0.530
ALP-POS-c56c1477-4
0.530
PET-UNK-022eab87-2
0.528
PET-UNK-6da3dcd8-2
0.528
PET-UNK-1abb40f2-2
0.527
PET-UNK-1abb40f2-4
0.527
PET-UNK-9bf1291a-4
0.526
PET-UNK-5ad1c31a-4
0.526
PET-UNK-5ad1c31a-10
0.526
PET-UNK-6da3dcd8-1
0.523
PET-UNK-9b23ef84-1
0.518
EDJ-MED-015fb6b4-1
0.517
PET-UNK-b38839dc-26
0.517
PET-UNK-6da3dcd8-10
0.517
MAR-UCB-6ab2ec87-3
0.514
PET-UNK-9bf1291a-2
0.514
PET-UNK-c65ea24c-2
0.513
PET-UNK-5ad1c31a-9
0.513
PET-UNK-5ad1c31a-3
0.513
PET-UNK-6da3dcd8-15
0.512
MAT-POS-d8472c4f-3
0.509
MIC-UNK-ea4eb352-3
0.509
MIC-UNK-6e9f8a43-1
0.509
JOH-UNI-e398da21-2
0.509
PET-UNK-c65ea24c-3
0.509
PET-UNK-c65ea24c-6
0.509
PET-UNK-6da3dcd8-3
0.509
PET-UNK-6da3dcd8-9
0.508
PET-UNK-c0891748-9
0.505
PET-UNK-c0891748-3
0.505
PET-UNK-6da3dcd8-4
0.504
PET-UNK-c65ea24c-13
0.504