Type: Neutral
Formula: C15H21NO6
SMILES: |
O1C(CO)C(O)C(O)C(NC(=O)C)C1Oc1cc(ccc1)C |
InChI: |
InChI=1/C15H21NO6/c1-8-4-3-5-10(6-8)21-15-12(16-9(2)18)14(20)13(19)11(7-17)22-15/h3-6,11-15,17,19-20H,7H2,1-2H3,(H,16,18)/t11-,12+,13+,14-,15+/m0/s1 |
MOE's Descriptors
Physical Properties | | | |
Molecular Weight: 311.334 g/mol | logS: -1.6537 | SlogP: -0.68248 | Reactive groups: 0 |
| | | |
Topological Properties | | | |
Globularity: 0.165229 | Sterimol/B1: 3.33056 | Sterimol/B2: 3.41591 | Sterimol/B3: 5.42614 |
Sterimol/B4: 6.46736 | Sterimol/L: 15.4075 | | | |
| | | |
Surface and Volume Properties | | | |
Accessible surface: 543.445 | Positive charged surface: 381.187 | Negative charged surface: 162.259 | Volume: 288 |
Hydrophobic surface: 391.195 | Hydrophilic surface: 152.25 | | |
| | | |
Pharmacophoric Properties | | | |
Hydrogen bond donors: 4 | Hydrogen bond acceptors: 6 | Acid groups: 0 | Basic groups: 0 |
Chiral centers: 5 | | | |
| | | |
Drug- and Lead-like Properties | | | |
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 | |
|
search links for this molecule: |
|
|
|
|
Ions/Tautomers related molecules: no related molecules available. | | | |