MMsINC Database Search


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MMsINC code: MMs00778298

Type: Neutral
Formula: C₁₈H₂₂O₄

SMILES:

O(CCOCCOc1ccc(cc1)C)c1cc(OC)ccc1

InChI:

InChI=1/C18H22O4/c1-15-6-8-16(9-7-15)21-12-10-20-11-13-22-18-5-3-4-17(14-18)19-2/h3-9,14H,10-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.4014 kcal/mol

Physical Properties
Molecular Weight: 302.37 g/mol	logS: -3.94692	SlogP: 3.47802	Reactive groups: 0

Topological Properties
Globularity: 0.0699276	Sterimol/B1: 2.46505	Sterimol/B2: 3.63046	Sterimol/B3: 3.81866
Sterimol/B4: 7.94471	Sterimol/L: 18.5048

Surface and Volume Properties
Accessible surface: 630.769	Positive charged surface: 446.737	Negative charged surface: 184.032	Volume: 308.125
Hydrophobic surface: 606.173	Hydrophilic surface: 24.596

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.