MMsINC Database Search


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MMsINC code: MMs00048770

Type: Neutral
Formula: C₁₄H₁₄O₂

SMILES:

O(Cc1ccccc1)c1ccc(OC)cc1

InChI:

InChI=1/C14H14O2/c1-15-13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.5519 kcal/mol

Physical Properties
Molecular Weight: 214.264 g/mol	logS: -3.25354	SlogP: 3.5406	Reactive groups: 0

Topological Properties
Globularity: 0.0617669	Sterimol/B1: 2.30099	Sterimol/B2: 3.61831	Sterimol/B3: 3.61849
Sterimol/B4: 4.99462	Sterimol/L: 16.1263

Surface and Volume Properties
Accessible surface: 468.179	Positive charged surface: 290.004	Negative charged surface: 178.174	Volume: 223.125
Hydrophobic surface: 446.753	Hydrophilic surface: 21.426

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.