MMsINC Database Search


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MMsINC code: MMs02288978

Type: Neutral
Formula: C₁₄H₁₄O₂

SMILES:

O(C)c1ccc(cc1)Cc1ccc(O)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.0528 kcal/mol

Physical Properties
Molecular Weight: 214.264 g/mol	logS: -3.18969	SlogP: 2.99157	Reactive groups: 0

Topological Properties
Globularity: 0.119826	Sterimol/B1: 2.65511	Sterimol/B2: 3.14643	Sterimol/B3: 4.88177
Sterimol/B4: 4.99419	Sterimol/L: 14.383

Surface and Volume Properties
Accessible surface: 450.961	Positive charged surface: 296.151	Negative charged surface: 154.81	Volume: 221.75
Hydrophobic surface: 387.81	Hydrophilic surface: 63.151

Pharmacophoric Properties
Hydrogen bond donors: 1	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.