MMsINC Database Search


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MMsINC code: MMs01315483

Type: Neutral
Formula: C₂₂H₁₉NO₅

SMILES:

O(c1ccccc1C(OCC(=O)Nc1ccccc1OC)=O)c1ccccc1

InChI:

InChI=1/C22H19NO5/c1-26-20-14-8-6-12-18(20)23-21(24)15-27-22(25)17-11-5-7-13-19(17)28-16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.905 kcal/mol

Physical Properties
Molecular Weight: 377.396 g/mol	logS: -5.59613	SlogP: 4.283	Reactive groups: 0

Topological Properties
Globularity: 0.025019	Sterimol/B1: 2.51492	Sterimol/B2: 2.70952	Sterimol/B3: 4.52364
Sterimol/B4: 8.51549	Sterimol/L: 20.1704

Surface and Volume Properties
Accessible surface: 674.225	Positive charged surface: 425.111	Negative charged surface: 249.114	Volume: 357.625
Hydrophobic surface: 590.426	Hydrophilic surface: 83.799

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.