MMsINC Database Search


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MMsINC code: MMs00703417

Type: Neutral
Formula: C₁₈H₂₂O₂

SMILES:

O(CCCCCCOc1ccccc1)c1ccccc1

InChI:

InChI=1/C18H22O2/c1(9-15-19-17-11-5-3-6-12-17)2-10-16-20-18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.3589 kcal/mol

Physical Properties
Molecular Weight: 270.372 g/mol	logS: -4.08706	SlogP: 4.7048	Reactive groups: 0

Topological Properties
Globularity: 0.00773341	Sterimol/B1: 2.37351	Sterimol/B2: 2.37824	Sterimol/B3: 3.44118
Sterimol/B4: 4.39025	Sterimol/L: 21.1478

Surface and Volume Properties
Accessible surface: 595.312	Positive charged surface: 379.241	Negative charged surface: 216.071	Volume: 293
Hydrophobic surface: 581.358	Hydrophilic surface: 13.954

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.