MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03523561

Type: Neutral
Formula: C₁₄H₁₄O₂

SMILES:

Oc1ccc(cc1-c1cc(ccc1O)C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.083 kcal/mol

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

Topological Properties
Globularity: 0.125259	Sterimol/B1: 2.44121	Sterimol/B2: 2.60602	Sterimol/B3: 4.13604
Sterimol/B4: 6.1329	Sterimol/L: 12.3163

Surface and Volume Properties
Accessible surface: 442.495	Positive charged surface: 268.738	Negative charged surface: 171.564	Volume: 219.875
Hydrophobic surface: 369.609	Hydrophilic surface: 72.886

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.