MMsINC Database Search


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

MMsINC code: MMs02733932

Type: Neutral
Formula: C₁₄H₁₄O₂

SMILES:

O(C)c1ccc(cc1)-c1ccc(cc1)CO

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.6649 kcal/mol

Physical Properties
Molecular Weight: 214.264 g/mol	logS: -3.63266	SlogP: 3.1209	Reactive groups: 0

Topological Properties
Globularity: 0.0130585	Sterimol/B1: 2.3875	Sterimol/B2: 2.83563	Sterimol/B3: 3.15011
Sterimol/B4: 4.68503	Sterimol/L: 15.9317

Surface and Volume Properties
Accessible surface: 447.956	Positive charged surface: 279.192	Negative charged surface: 157.672	Volume: 220.75
Hydrophobic surface: 374.474	Hydrophilic surface: 73.482

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.