MMsINC Database Search


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MMsINC code: MMs01216101

Type: Neutral
Formula: C₁₉H₂₃NO₅

SMILES:

O(CC(=O)c1c(C)c(n(CC)c1C)C(OC)=O)c1ccc(OC)cc1

InChI:

InChI=1/C19H23NO5/c1-6-20-13(3)17(12(2)18(20)19(22)24-5)16(21)11-25-15-9-7-14(23-4)8-10-15/h7-10H,6,11H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.3128 kcal/mol

Physical Properties
Molecular Weight: 345.395 g/mol	logS: -3.25784	SlogP: 3.44814	Reactive groups: 0

Topological Properties
Globularity: 0.0873134	Sterimol/B1: 2.63817	Sterimol/B2: 3.87418	Sterimol/B3: 4.69762
Sterimol/B4: 6.54985	Sterimol/L: 18.67

Surface and Volume Properties
Accessible surface: 630.536	Positive charged surface: 435.352	Negative charged surface: 195.185	Volume: 338.625
Hydrophobic surface: 528.946	Hydrophilic surface: 101.59

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.