MMsINC Database Search


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MMsINC code: MMs00072229

Type: Neutral
Formula: C₁₉H₁₇NO₅

SMILES:

O(C)c1cc(cc(OC)c1)C(=O)n1cc(c2c1cccc2)C(OC)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.56 kcal/mol

Physical Properties
Molecular Weight: 339.347 g/mol	logS: -4.20649	SlogP: 3.1336	Reactive groups: 0

Topological Properties
Globularity: 0.147534	Sterimol/B1: 3.85553	Sterimol/B2: 4.32433	Sterimol/B3: 6.34974
Sterimol/B4: 6.85523	Sterimol/L: 16.5985

Surface and Volume Properties
Accessible surface: 590.107	Positive charged surface: 397.776	Negative charged surface: 188.225	Volume: 318.875
Hydrophobic surface: 486.024	Hydrophilic surface: 104.083

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.