MMsINC Database Search


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MMsINC code: MMs01196654

Type: Neutral
Formula: C₁₉H₂₃NO₄

SMILES:

O(CC(=O)c1c(C)c(n(CC)c1C)C(OCC)=O)c1ccccc1

InChI:

InChI=1/C19H23NO4/c1-5-20-14(4)17(13(3)18(20)19(22)23-6-2)16(21)12-24-15-10-8-7-9-11-15/h7-11H,5-6,12H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.9286 kcal/mol

Physical Properties
Molecular Weight: 329.396 g/mol	logS: -3.53467	SlogP: 3.82964	Reactive groups: 0

Topological Properties
Globularity: 0.0695307	Sterimol/B1: 2.48778	Sterimol/B2: 3.70324	Sterimol/B3: 4.90721
Sterimol/B4: 6.78855	Sterimol/L: 18.8027

Surface and Volume Properties
Accessible surface: 615.518	Positive charged surface: 381.454	Negative charged surface: 234.064	Volume: 333.5
Hydrophobic surface: 502.537	Hydrophilic surface: 112.981

Pharmacophoric Properties
Hydrogen bond donors: 0	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.