MMsINC Database Search


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MMsINC code: MMs02878672

Type: Neutral
Formula: C₁₉H₂₅NO₆

SMILES:

O(C)c1c(OC)cc(cc1OC)CNc1cc(OC)c(OC)c(OC)c1

InChI:

InChI=1/C19H25NO6/c1-21-14-7-12(8-15(22-2)18(14)25-5)11-20-13-9-16(23-3)19(26-6)17(10-13)24-4/h7-10,20H,11H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.863 kcal/mol

Physical Properties
Molecular Weight: 363.41 g/mol	logS: -3.25152	SlogP: 3.6167	Reactive groups: 0

Topological Properties
Globularity: 0.171481	Sterimol/B1: 2.34959	Sterimol/B2: 2.45773	Sterimol/B3: 7.10876
Sterimol/B4: 7.54948	Sterimol/L: 18.4747

Surface and Volume Properties
Accessible surface: 678.106	Positive charged surface: 595.359	Negative charged surface: 82.7468	Volume: 355
Hydrophobic surface: 617.728	Hydrophilic surface: 60.378

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	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.