MMsINC Database Search


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MMsINC code: MMs02820358

Type: Neutral
Formula: C₁₉H₁₉NO₄

SMILES:

O(C)c1cc(ccc1OC)-c1nccc2c1cc(OC)c(OC)c2

InChI:

InChI=1/C19H19NO4/c1-21-15-6-5-13(10-16(15)22-2)19-14-11-18(24-4)17(23-3)9-12(14)7-8-20-19/h5-11H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.158 kcal/mol

Physical Properties
Molecular Weight: 325.364 g/mol	logS: -4.60132	SlogP: 3.9362	Reactive groups: 0

Topological Properties
Globularity: 0.0639917	Sterimol/B1: 2.55244	Sterimol/B2: 3.33572	Sterimol/B3: 4.35111
Sterimol/B4: 8.25889	Sterimol/L: 15.8729

Surface and Volume Properties
Accessible surface: 576.807	Positive charged surface: 461.053	Negative charged surface: 102.477	Volume: 310.25
Hydrophobic surface: 529.615	Hydrophilic surface: 47.192

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.