MMsINC Database Search


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MMsINC code: MMs00739955

Type: Neutral
Formula: C₁₇H₂₀O₃

SMILES:

O(CCCOc1ccc(cc1)C)c1ccccc1OC

InChI:

InChI=1/C17H20O3/c1-14-8-10-15(11-9-14)19-12-5-13-20-17-7-4-3-6-16(17)18-2/h3-4,6-11H,5,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.4324 kcal/mol

Physical Properties
Molecular Weight: 272.344 g/mol	logS: -4.00605	SlogP: 3.85152	Reactive groups: 0

Topological Properties
Globularity: 0.00810693	Sterimol/B1: 2.38638	Sterimol/B2: 2.51266	Sterimol/B3: 4.36734
Sterimol/B4: 5.38084	Sterimol/L: 18.1797

Surface and Volume Properties
Accessible surface: 572.754	Positive charged surface: 389.118	Negative charged surface: 183.636	Volume: 281.125
Hydrophobic surface: 552.617	Hydrophilic surface: 20.137

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.