MMsINC Database Search


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MMsINC code: MMs02315729

Type: Neutral
Formula: C₁₀H₁₀O₄

SMILES:

O(C(COC=O)c1ccccc1)C=O

InChI:

InChI=1/C10H10O4/c11-7-13-6-10(14-8-12)9-4-2-1-3-5-9/h1-5,7-8,10H,6H2/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.2075 kcal/mol

Physical Properties
Molecular Weight: 194.186 g/mol	logS: -1.96734	SlogP: 1.1692	Reactive groups: 0

Topological Properties
Globularity: 0.188876	Sterimol/B1: 2.96027	Sterimol/B2: 3.43428	Sterimol/B3: 3.83938
Sterimol/B4: 6.27499	Sterimol/L: 12.7388

Surface and Volume Properties
Accessible surface: 403.259	Positive charged surface: 231.164	Negative charged surface: 172.095	Volume: 182.125
Hydrophobic surface: 248.51	Hydrophilic surface: 154.749

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.