MMsINC Database Search


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MMsINC code: MMs01571314

Type: Neutral
Formula: C₂₃H₂₅NO₅

SMILES:

O(CC(OCC(=O)N1CCC(CC1)C)=O)c1ccc(cc1)C(=O)c1ccccc1

InChI:

InChI=1/C23H25NO5/c1-17-11-13-24(14-12-17)21(25)15-29-22(26)16-28-20-9-7-19(8-10-20)23(27)18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.934 kcal/mol

Physical Properties
Molecular Weight: 395.455 g/mol	logS: -5.25219	SlogP: 3.0981	Reactive groups: 1

Topological Properties
Globularity: 0.017353	Sterimol/B1: 2.39999	Sterimol/B2: 3.18295	Sterimol/B3: 4.5216
Sterimol/B4: 5.57729	Sterimol/L: 24.1605

Surface and Volume Properties
Accessible surface: 712.971	Positive charged surface: 452.805	Negative charged surface: 260.166	Volume: 382
Hydrophobic surface: 571.008	Hydrophilic surface: 141.963

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.