MMsINC Database Search


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MMsINC code: MMs02668726

Type: Neutral
Formula: C₁₁H₁₄O₄

SMILES:

O(C)c1cc(cc(OC)c1C(OC)=O)C

InChI:

InChI=1/C11H14O4/c1-7-5-8(13-2)10(11(12)15-4)9(6-7)14-3/h5-6H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.5371 kcal/mol

Physical Properties
Molecular Weight: 210.229 g/mol	logS: -2.34129	SlogP: 1.79882	Reactive groups: 0

Topological Properties
Globularity: 0.0564583	Sterimol/B1: 2.62136	Sterimol/B2: 3.52057	Sterimol/B3: 5.93783
Sterimol/B4: 5.93974	Sterimol/L: 11.9358

Surface and Volume Properties
Accessible surface: 440.497	Positive charged surface: 346.657	Negative charged surface: 93.8403	Volume: 206.125
Hydrophobic surface: 394.194	Hydrophilic surface: 46.303

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.