MMsINC Database Search


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MMsINC code: MMs00739908

Type: Neutral
Formula: C₁₉H₂₄O₃

SMILES:

O(CCCCOc1ccc(OC)cc1)c1ccc(cc1)CC

InChI:

InChI=1/C19H24O3/c1-3-16-6-8-18(9-7-16)21-14-4-5-15-22-19-12-10-17(20-2)11-13-19/h6-13H,3-5,14-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.442 kcal/mol

Physical Properties
Molecular Weight: 300.398 g/mol	logS: -4.72304	SlogP: 4.49557	Reactive groups: 0

Topological Properties
Globularity: 0.0114162	Sterimol/B1: 2.03146	Sterimol/B2: 3.61633	Sterimol/B3: 4.17619
Sterimol/B4: 4.62433	Sterimol/L: 22.5274

Surface and Volume Properties
Accessible surface: 626.686	Positive charged surface: 440.784	Negative charged surface: 185.902	Volume: 315.125
Hydrophobic surface: 579.878	Hydrophilic surface: 46.808

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.