MMsINC Database Search


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MMsINC code: MMs02290490

Type: Neutral
Formula: C₁₅H₁₉NO₆

SMILES:

O1CCOC1(CC(OC)=O)CNC(OCc1ccccc1)=O

InChI:

InChI=1/C15H19NO6/c1-19-13(17)9-15(21-7-8-22-15)11-16-14(18)20-10-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.5817 kcal/mol

Physical Properties
Molecular Weight: 309.318 g/mol	logS: -2.388	SlogP: 1.4854	Reactive groups: 1

Topological Properties
Globularity: 0.0662166	Sterimol/B1: 2.24495	Sterimol/B2: 3.39926	Sterimol/B3: 4.12417
Sterimol/B4: 8.03236	Sterimol/L: 17.6449

Surface and Volume Properties
Accessible surface: 581.444	Positive charged surface: 416.49	Negative charged surface: 164.954	Volume: 287
Hydrophobic surface: 474.148	Hydrophilic surface: 107.296

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.