MMsINC Database Search


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MMsINC code: MMs00869978

Type: Neutral
Formula: C₁₄H₁₄O₄

SMILES:

O(CCOc1ccccc1O)c1ccccc1O

InChI:

InChI=1/C14H14O4/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h1-8,15-16H,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.83 kcal/mol

Physical Properties
Molecular Weight: 246.262 g/mol	logS: -2.55608	SlogP: 2.5556	Reactive groups: 0

Topological Properties
Globularity: 0.0691425	Sterimol/B1: 3.46569	Sterimol/B2: 3.47444	Sterimol/B3: 3.98971
Sterimol/B4: 4.01157	Sterimol/L: 15.937

Surface and Volume Properties
Accessible surface: 494.462	Positive charged surface: 310.744	Negative charged surface: 183.718	Volume: 235.375
Hydrophobic surface: 387.727	Hydrophilic surface: 106.735

Pharmacophoric Properties
Hydrogen bond donors: 2	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.