MMsINC Database Search


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MMsINC code: MMs02319850

Type: Neutral
Formula: C₁₉H₁₇NO₅

SMILES:

O1c2c(OC1)cc1c(c2)c(ncc1)-c1cc(OC)c(OC)c(OC)c1

InChI:

InChI=1/C19H17NO5/c1-21-16-7-12(8-17(22-2)19(16)23-3)18-13-9-15-14(24-10-25-15)6-11(13)4-5-20-18/h4-9H,10H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.857 kcal/mol

Physical Properties
Molecular Weight: 339.347 g/mol	logS: -4.50604	SlogP: 3.6563	Reactive groups: 0

Topological Properties
Globularity: 0.106993	Sterimol/B1: 2.45219	Sterimol/B2: 2.53923	Sterimol/B3: 5.1987
Sterimol/B4: 9.05641	Sterimol/L: 14.7224

Surface and Volume Properties
Accessible surface: 570.05	Positive charged surface: 445.822	Negative charged surface: 113.064	Volume: 311.75
Hydrophobic surface: 483.107	Hydrophilic surface: 86.943

Pharmacophoric Properties
Hydrogen bond donors: 0	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.