MMsINC Database Search


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MMsINC code: MMs01549824

Type: Neutral
Formula: C₁₉H₁₉NO₆

SMILES:

O(C)c1cc(ccc1)CNC(=O)COC(=O)c1ccc(cc1)C(OC)=O

InChI:

InChI=1/C19H19NO6/c1-24-16-5-3-4-13(10-16)11-20-17(21)12-26-19(23)15-8-6-14(7-9-15)18(22)25-2/h3-10H,11-12H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.8545 kcal/mol

Physical Properties
Molecular Weight: 357.362 g/mol	logS: -4.13919	SlogP: 2.2214	Reactive groups: 0

Topological Properties
Globularity: 0.0272008	Sterimol/B1: 2.44191	Sterimol/B2: 3.93899	Sterimol/B3: 4.68609
Sterimol/B4: 5.72078	Sterimol/L: 22.3432

Surface and Volume Properties
Accessible surface: 662.51	Positive charged surface: 445.875	Negative charged surface: 216.635	Volume: 332
Hydrophobic surface: 515.694	Hydrophilic surface: 146.816

Pharmacophoric Properties
Hydrogen bond donors: 1	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.