MMsINC Database Search


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MMsINC code: MMs02175589

Type: Neutral
Formula: C₁₄H₁₄O₂

SMILES:

Oc1ccccc1C(O)c1ccc(cc1)C

InChI:

InChI=1/C14H14O2/c1-10-6-8-11(9-7-10)14(16)12-4-2-3-5-13(12)15/h2-9,14-16H,1H3/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.9744 kcal/mol

Physical Properties
Molecular Weight: 214.264 g/mol	logS: -3.03577	SlogP: 2.87782	Reactive groups: 0

Topological Properties
Globularity: 0.162641	Sterimol/B1: 2.66632	Sterimol/B2: 3.73874	Sterimol/B3: 4.02612
Sterimol/B4: 5.0987	Sterimol/L: 12.5634

Surface and Volume Properties
Accessible surface: 428.836	Positive charged surface: 241.822	Negative charged surface: 187.013	Volume: 219.25
Hydrophobic surface: 356.93	Hydrophilic surface: 71.906

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