MMsINC Database Search


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

MMsINC code: MMs03252332

Type: Neutral
Formula: C₁₄H₁₄O₂

SMILES:

Oc1cc(ccc1Cc1ccccc1O)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.4719 kcal/mol

Physical Properties
Molecular Weight: 214.264 g/mol	logS: -2.93783	SlogP: 2.99699	Reactive groups: 0

Topological Properties
Globularity: 0.154456	Sterimol/B1: 2.55802	Sterimol/B2: 3.90428	Sterimol/B3: 4.32752
Sterimol/B4: 4.75756	Sterimol/L: 12.5619

Surface and Volume Properties
Accessible surface: 431.908	Positive charged surface: 268.771	Negative charged surface: 163.137	Volume: 219.5
Hydrophobic surface: 361.436	Hydrophilic surface: 70.472

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.