MMsINC Database Search


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MMsINC code: MMs02332061

Type: Neutral
Formula: C₁₄H₁₉NO₅

SMILES:

O1CCOC1(CNC(=O)C)c1cc(OC)c(OC)cc1

InChI:

InChI=1/C14H19NO5/c1-10(16)15-9-14(19-6-7-20-14)11-4-5-12(17-2)13(8-11)18-3/h4-5,8H,6-7,9H2,1-3H3,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.9379 kcal/mol

Physical Properties
Molecular Weight: 281.308 g/mol	logS: -2.12921	SlogP: 1.351	Reactive groups: 0

Topological Properties
Globularity: 0.279172	Sterimol/B1: 2.07333	Sterimol/B2: 3.27804	Sterimol/B3: 5.30663
Sterimol/B4: 8.84697	Sterimol/L: 12.0446

Surface and Volume Properties
Accessible surface: 524.585	Positive charged surface: 419.276	Negative charged surface: 105.309	Volume: 266.875
Hydrophobic surface: 452.04	Hydrophilic surface: 72.545

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.