MMsINC Database Search


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MMsINC code: MMs01224861

Type: Neutral
Formula: C₁₉H₂₂O₅

SMILES:

O(C)c1c(OC)cc(cc1OC)C(Oc1ccc(cc1)C(C)C)=O

InChI:

InChI=1/C19H22O5/c1-12(2)13-6-8-15(9-7-13)24-19(20)14-10-16(21-3)18(23-5)17(11-14)22-4/h6-12H,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.251 kcal/mol

Physical Properties
Molecular Weight: 330.38 g/mol	logS: -5.15444	SlogP: 4.055	Reactive groups: 0

Topological Properties
Globularity: 0.0397217	Sterimol/B1: 3.40493	Sterimol/B2: 3.66217	Sterimol/B3: 4.96808
Sterimol/B4: 6.82424	Sterimol/L: 18.4851

Surface and Volume Properties
Accessible surface: 617.395	Positive charged surface: 466.337	Negative charged surface: 151.058	Volume: 324.375
Hydrophobic surface: 529.378	Hydrophilic surface: 88.017

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.