MMsINC Database Search


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MMsINC code: MMs03252303

Type: Neutral
Formula: C₁₄H₁₄O₂

SMILES:

Oc1ccc(cc1Cc1ccccc1O)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.0726 kcal/mol

Physical Properties
Molecular Weight: 214.264 g/mol	logS: -2.93783	SlogP: 2.99699	Reactive groups: 0

Topological Properties
Globularity: 0.135151	Sterimol/B1: 2.90401	Sterimol/B2: 3.05417	Sterimol/B3: 3.97309
Sterimol/B4: 5.92362	Sterimol/L: 12.3984

Surface and Volume Properties
Accessible surface: 429.404	Positive charged surface: 269.796	Negative charged surface: 159.608	Volume: 217.625
Hydrophobic surface: 370.485	Hydrophilic surface: 58.919

Pharmacophoric Properties
Hydrogen bond donors: 2	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.