MMsINC Database Search


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MMsINC code: MMs02806188

Type: Neutral
Formula: C₁₄H₁₄O₂

SMILES:

OCc1ccc(cc1)-c1ccc(cc1)CO

InChI:

InChI=1/C14H14O2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8,15-16H,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.4407 kcal/mol

Physical Properties
Molecular Weight: 214.264 g/mol	logS: -3.3533	SlogP: 2.871	Reactive groups: 0

Topological Properties
Globularity: 0.0196412	Sterimol/B1: 2.09797	Sterimol/B2: 2.42772	Sterimol/B3: 3.12743
Sterimol/B4: 4.82728	Sterimol/L: 15.5292

Surface and Volume Properties
Accessible surface: 449.211	Positive charged surface: 267.679	Negative charged surface: 170.461	Volume: 220.125
Hydrophobic surface: 320.835	Hydrophilic surface: 128.376

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.