MMsINC Database Search


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MMsINC code: MMs02886573

Type: Neutral
Formula: C₁₁H₂₃NO₃

SMILES:

O(C(C)(C)C)C(=O)NCCCCCCO

InChI:

InChI=1/C11H23NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9-13/h13H,4-9H2,1-3H3,(H,12,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=9.94814 kcal/mol

Physical Properties
Molecular Weight: 217.309 g/mol	logS: -1.4261	SlogP: 2.0638	Reactive groups: 0

Topological Properties
Globularity: 0.0379944	Sterimol/B1: 2.25369	Sterimol/B2: 2.37485	Sterimol/B3: 4.0501
Sterimol/B4: 4.87438	Sterimol/L: 17.9119

Surface and Volume Properties
Accessible surface: 499.887	Positive charged surface: 387.112	Negative charged surface: 112.775	Volume: 233.25
Hydrophobic surface: 343.525	Hydrophilic surface: 156.362

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.