MMsINC Database Search


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MMsINC code: MMs01421323

Type: Neutral
Formula: C₁₉H₂₂O₅

SMILES:

O(C)c1c(OC)c(OC)ccc1C(OCc1cc(ccc1C)C)=O

InChI:

InChI=1/C19H22O5/c1-12-6-7-13(2)14(10-12)11-24-19(20)15-8-9-16(21-3)18(23-5)17(15)22-4/h6-10H,11H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.054 kcal/mol

Physical Properties
Molecular Weight: 330.38 g/mol	logS: -4.63349	SlogP: 3.95264	Reactive groups: 0

Topological Properties
Globularity: 0.0313468	Sterimol/B1: 1.969	Sterimol/B2: 3.17854	Sterimol/B3: 3.35608
Sterimol/B4: 8.90318	Sterimol/L: 16.3585

Surface and Volume Properties
Accessible surface: 614.865	Positive charged surface: 448.997	Negative charged surface: 165.868	Volume: 327.75
Hydrophobic surface: 571.084	Hydrophilic surface: 43.781

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.