MMsINC Database Search


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MMsINC code: MMs02520375

Type: Neutral
Formula: C₁₅H₂₅NO₄

SMILES:

O1CCN(CC1)C(=O)C(C(OCC)=O)C1CCCCC1

InChI:

InChI=1/C15H25NO4/c1-2-20-15(18)13(12-6-4-3-5-7-12)14(17)16-8-10-19-11-9-16/h12-13H,2-11H2,1H3/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.2201 kcal/mol

Physical Properties
Molecular Weight: 283.368 g/mol	logS: -3.24173	SlogP: 1.6048	Reactive groups: 0

Topological Properties
Globularity: 0.137838	Sterimol/B1: 2.43606	Sterimol/B2: 3.71474	Sterimol/B3: 3.92516
Sterimol/B4: 9.39841	Sterimol/L: 12.9425

Surface and Volume Properties
Accessible surface: 525.122	Positive charged surface: 419.296	Negative charged surface: 105.826	Volume: 284.125
Hydrophobic surface: 448.217	Hydrophilic surface: 76.905

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.