MMsINC Database Search


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MMsINC code: MMs02309019

Type: Neutral
Formula: C₁₄H₁₄O₂

SMILES:

Oc1ccc(cc1C)-c1cc(C)c(O)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.489 kcal/mol

Physical Properties
Molecular Weight: 214.264 g/mol	logS: -3.4083	SlogP: 3.38164	Reactive groups: 0

Topological Properties
Globularity: 0.0134106	Sterimol/B1: 2.38019	Sterimol/B2: 2.51232	Sterimol/B3: 3.05793
Sterimol/B4: 5.88418	Sterimol/L: 12.9583

Surface and Volume Properties
Accessible surface: 437.362	Positive charged surface: 249.284	Negative charged surface: 176.894	Volume: 218
Hydrophobic surface: 349.246	Hydrophilic surface: 88.116

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.