MMsINC Database Search


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MMsINC code: MMs00735678

Type: Neutral
Formula: C₁₈H₂₂O₂

SMILES:

O(CCCCOc1ccc(cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C18H22O2/c1-15-5-9-17(10-6-15)19-13-3-4-14-20-18-11-7-16(2)8-12-18/h5-12H,3-4,13-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.0633 kcal/mol

Physical Properties
Molecular Weight: 270.372 g/mol	logS: -4.63136	SlogP: 4.54144	Reactive groups: 0

Topological Properties
Globularity: 0.00748509	Sterimol/B1: 2.37932	Sterimol/B2: 2.51228	Sterimol/B3: 3.63783
Sterimol/B4: 4.65326	Sterimol/L: 20.7828

Surface and Volume Properties
Accessible surface: 592.344	Positive charged surface: 379.259	Negative charged surface: 213.085	Volume: 293.875
Hydrophobic surface: 579.677	Hydrophilic surface: 12.667

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.