MMsINC Database Search


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MMsINC code: MMs02807464

Type: Neutral
Formula: C₁₇H₁₈O₃

SMILES:

O(C)c1cc(ccc1OC)C(=O)CCc1ccccc1

InChI:

InChI=1/C17H18O3/c1-19-16-11-9-14(12-17(16)20-2)15(18)10-8-13-6-4-3-5-7-13/h3-7,9,11-12H,8,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.4439 kcal/mol

Physical Properties
Molecular Weight: 270.328 g/mol	logS: -3.50184	SlogP: 3.51927	Reactive groups: 0

Topological Properties
Globularity: 0.0490522	Sterimol/B1: 1.969	Sterimol/B2: 3.61847	Sterimol/B3: 3.62029
Sterimol/B4: 7.57325	Sterimol/L: 15.9088

Surface and Volume Properties
Accessible surface: 543.526	Positive charged surface: 373.842	Negative charged surface: 169.685	Volume: 275.5
Hydrophobic surface: 494.083	Hydrophilic surface: 49.443

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.