MMsINC Database Search


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MMsINC code: MMs02251905

Type: Neutral
Formula: C₁₁H₁₄O₄

SMILES:

O(C(=O)C(O)c1ccccc1)CCOC

InChI:

InChI=1/C11H14O4/c1-14-7-8-15-11(13)10(12)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.4955 kcal/mol

Physical Properties
Molecular Weight: 210.229 g/mol	logS: -1.70671	SlogP: 1.0051	Reactive groups: 0

Topological Properties
Globularity: 0.113217	Sterimol/B1: 3.20502	Sterimol/B2: 3.48947	Sterimol/B3: 3.67451
Sterimol/B4: 5.68706	Sterimol/L: 12.8271

Surface and Volume Properties
Accessible surface: 442.263	Positive charged surface: 307.579	Negative charged surface: 134.684	Volume: 205.625
Hydrophobic surface: 362.049	Hydrophilic surface: 80.214

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.