MMsINC Database Search


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MMsINC code: MMs02264986

Type: Neutral
Formula: C₁₁H₁₄O₃

SMILES:

O(C(=O)c1ccc(cc1)C)CCOC

InChI:

InChI=1/C11H14O3/c1-9-3-5-10(6-4-9)11(12)14-8-7-13-2/h3-6H,7-8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.0601 kcal/mol

Physical Properties
Molecular Weight: 194.23 g/mol	logS: -2.38317	SlogP: 1.79822	Reactive groups: 0

Topological Properties
Globularity: 0.0252771	Sterimol/B1: 2.6643	Sterimol/B2: 2.82452	Sterimol/B3: 2.84846
Sterimol/B4: 5.41828	Sterimol/L: 14.4718

Surface and Volume Properties
Accessible surface: 443.004	Positive charged surface: 313.669	Negative charged surface: 129.335	Volume: 199.875
Hydrophobic surface: 396.874	Hydrophilic surface: 46.13

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.