MMsINC Database Search


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MMsINC code: MMs00600864

Type: Neutral
Formula: C₁₆H₁₈O₂

SMILES:

O(C)c1ccc(cc1)C(C)c1ccc(OC)cc1

InChI:

InChI=1/C16H18O2/c1-12(13-4-8-15(17-2)9-5-13)14-6-10-16(18-3)11-7-14/h4-12H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.3227 kcal/mol

Physical Properties
Molecular Weight: 242.318 g/mol	logS: -4.11724	SlogP: 3.8556	Reactive groups: 0

Topological Properties
Globularity: 0.138272	Sterimol/B1: 2.05841	Sterimol/B2: 2.08681	Sterimol/B3: 5.4779
Sterimol/B4: 6.66179	Sterimol/L: 14.5019

Surface and Volume Properties
Accessible surface: 490.389	Positive charged surface: 347.336	Negative charged surface: 143.053	Volume: 253.25
Hydrophobic surface: 450.068	Hydrophilic surface: 40.321

Pharmacophoric Properties
Hydrogen bond donors: 0	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.