MMsINC Database Search


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MMsINC code: MMs03175991

Type: Neutral
Formula: C₁₄H₁₄O₂

SMILES:

Oc1cc(C)c(cc1)-c1ccc(O)cc1C

InChI:

InChI=1/C14H14O2/c1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2/h3-8,15-16H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.6601 kcal/mol

Physical Properties
Molecular Weight: 214.264 g/mol	logS: -4.0352	SlogP: 3.38164	Reactive groups: 0

Topological Properties
Globularity: 0.158854	Sterimol/B1: 2.40614	Sterimol/B2: 2.54202	Sterimol/B3: 5.1845
Sterimol/B4: 5.45955	Sterimol/L: 13.2899

Surface and Volume Properties
Accessible surface: 426.566	Positive charged surface: 263.185	Negative charged surface: 162.256	Volume: 216.375
Hydrophobic surface: 323.654	Hydrophilic surface: 102.912

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.