MMsINC Database Search


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MMsINC code: MMs02176902

Type: Neutral
Formula: C₁₀H₁₀O₄

SMILES:

O(C)c1cc(OC)c(cc1C=O)C=O

InChI:

InChI=1/C10H10O4/c1-13-9-4-10(14-2)8(6-12)3-7(9)5-11/h3-6H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.1967 kcal/mol

Physical Properties
Molecular Weight: 194.186 g/mol	logS: -1.49786	SlogP: 1.3288	Reactive groups: 1

Topological Properties
Globularity: 0.0289273	Sterimol/B1: 1.97987	Sterimol/B2: 2.37365	Sterimol/B3: 2.37949
Sterimol/B4: 7.2059	Sterimol/L: 9.79405

Surface and Volume Properties
Accessible surface: 385.933	Positive charged surface: 293.151	Negative charged surface: 92.7824	Volume: 181.625
Hydrophobic surface: 256.001	Hydrophilic surface: 129.932

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.