Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccccc23)CN(C(C)=O)Cc2ccc(Cl)cc21 |
MW: | 409.12 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 71.53 |
cLogP: | 3.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-9b23ef84-15
PET-UNK-9b23ef84-12
PET-UNK-9b23ef84-11
PET-UNK-9b23ef84-10
PET-UNK-9b23ef84-8
PET-UNK-9b23ef84-3
PET-UNK-9b23ef84-2
PET-UNK-9b23ef84-1
PET-UNK-9b23ef84-6
PET-UNK-9b23ef84-4
PET-UNK-9b23ef84-14
PET-UNK-9b23ef84-9
PET-UNK-9b23ef84-7
PET-UNK-9b23ef84-5
PET-UNK-9b23ef84-13
PET-UNK-c65ea24c-17
PET-UNK-c65ea24c-16
PET-UNK-c65ea24c-15
PET-UNK-c65ea24c-12
PET-UNK-c65ea24c-11
PET-UNK-c65ea24c-10
PET-UNK-c65ea24c-9
PET-UNK-c65ea24c-8
PET-UNK-c65ea24c-7
PET-UNK-c65ea24c-6
PET-UNK-c65ea24c-5
PET-UNK-c65ea24c-4
PET-UNK-c65ea24c-2
PET-UNK-c65ea24c-3
PET-UNK-c65ea24c-1
PET-UNK-c65ea24c-18
PET-UNK-c65ea24c-13
PET-UNK-c65ea24c-14
PET-UNK-9bf1291a-2
0.791
PET-UNK-9b23ef84-1
0.753
PET-UNK-c65ea24c-13
0.747
ALP-POS-5290f14d-1
0.722
EDJ-MED-b1cef252-1
0.722
MAT-POS-89bd6af1-4
0.722
MAT-POS-83a7b0a0-1
0.722
PET-UNK-9bf1291a-1
0.722
MIC-UNK-ea4eb352-2
0.722
PET-UNK-9bf1291a-5
0.707
PET-UNK-88d26eaf-1
0.691
EDJ-MED-cf877e1d-2
0.691
PET-UNK-757f8bc8-3
0.670
PET-UNK-757f8bc8-4
0.663
PET-UNK-9b23ef84-4
0.663
PET-UNK-9b23ef84-8
0.663
PET-UNK-9b23ef84-12
0.663
PET-UNK-c65ea24c-15
0.663
PET-UNK-c65ea24c-18
0.663
PET-UNK-c65ea24c-17
0.649
PET-UNK-c65ea24c-14
0.649
PET-UNK-757f8bc8-2
0.644
PET-UNK-c65ea24c-16
0.642
PET-UNK-757f8bc8-1
0.637
PET-UNK-6da3dcd8-5
0.631
PET-UNK-6da3dcd8-8
0.631
EDJ-MED-b1cef252-2
0.631
MAT-POS-83a7b0a0-2
0.631
MAT-POS-89bd6af1-2
0.631
PET-UNK-1b92fa34-5
0.617
PET-UNK-1abb40f2-2
0.604
PET-UNK-1abb40f2-4
0.604
PET-UNK-ad758083-1
0.594
PET-UNK-4d432d33-3
0.594
PET-UNK-4d432d33-7
0.594
MAR-UCB-6ab2ec87-3
0.591
EDJ-MED-841e0cf0-2
0.584
MIC-UNK-ea4eb352-10
0.584
PET-UNK-bcc8fd08-4
0.584
EDJ-MED-670ad2ee-2
0.584
BEN-DND-a02b439d-12
0.583
PET-UNK-4d432d33-4
0.578
PET-UNK-4d432d33-8
0.578
EDJ-MED-e9a22d5d-2
0.577
PET-UNK-022eab87-2
0.574
EDG-MED-0e5afe9d-3
0.573
EDJ-MED-d08626de-2
0.573
PET-UNK-29afea89-2
0.573
EDJ-MED-d08626de-1
0.573
PET-UNK-0d6841fa-1
0.573
EDJ-MED-015fb6b4-1
0.573
PET-UNK-ad758083-2
0.571
EDJ-MED-841e0cf0-3
0.570
EDJ-MED-923a35c2-5
0.570
EDJ-MED-670ad2ee-3
0.570
PET-UNK-9bf1291a-4
0.569
PET-UNK-5ad1c31a-4
0.567
PET-UNK-5ad1c31a-10
0.567
MAT-POS-d8472c4f-3
0.567
MAT-POS-c7771779-2
0.567
MAT-POS-89e65850-1
0.567
MIC-UNK-ea4eb352-3
0.567
EDJ-MED-670ad2ee-1
0.566
MIC-UNK-ea4eb352-6
0.566
EDJ-MED-841e0cf0-1
0.566
PET-UNK-757f8bc8-7
0.563
MIC-UNK-ea4eb352-4
0.562
PET-UNK-c0891748-5
0.561
PET-UNK-c0891748-9
0.561
PET-UNK-c0891748-11
0.561
MAT-POS-f9802937-1
0.561
PET-UNK-c0891748-3
0.561
MIC-UNK-54748b58-2
0.558
PET-UNK-c0891748-7
0.557
EDJ-MED-37aac4bd-5
0.557
PET-UNK-c0891748-1
0.557
ALP-POS-fe871b40-7
0.557
PET-UNK-f360ae44-6
0.556
PET-UNK-f360ae44-14
0.556
PET-UNK-5ad1c31a-3
0.552
PET-UNK-5ad1c31a-9
0.552
PET-UNK-1abb40f2-1
0.551
PET-UNK-1abb40f2-3
0.551
MAT-POS-89e65850-2
0.551
PET-UNK-f360ae44-5
0.550
PET-UNK-f360ae44-13
0.550
PET-UNK-c65ea24c-1
0.548
PET-UNK-b566c0b0-8
0.548
PET-UNK-0d6841fa-2
0.546
ALP-POS-f1807566-3
0.545
MIC-UNK-ea4eb352-1
0.545
EDJ-MED-211392e3-1
0.545
PET-UNK-f4e47ebd-24
0.545
PET-UNK-f4e47ebd-25
0.545
PET-UNK-0d6841fa-7
0.544
FRA-DIA-6238d354-1
0.544
EDJ-MED-923a35c2-1
0.544
PET-UNK-f360ae44-1
0.541
PET-UNK-f360ae44-8
0.541
PET-UNK-f360ae44-15
0.541