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NCID-ZINC01736030

MMsINC code: MMs02357730

Type: Neutral
Formula: C₁₁H₂₃NO₂

SMILES:

O(C(=O)CCCCCC)CCN(C)C

InChI:

InChI=1/C11H23NO2/c1-4-5-6-7-8-11(13)14-10-9-12(2)3/h4-10H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.4424 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 201.31 g/mol	logS: -2.16661	SlogP: 2.0616	Reactive groups: 1

Topological Properties
Globularity: 0.0436247	Sterimol/B1: 3.36609	Sterimol/B2: 3.53071	Sterimol/B3: 3.61071
Sterimol/B4: 3.6618	Sterimol/L: 17.0533

Surface and Volume Properties
Accessible surface: 498.508	Positive charged surface: 431.645	Negative charged surface: 66.8629	Volume: 231.5
Hydrophobic surface: 438.711	Hydrophilic surface: 59.797

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs02357731
NCID-ZINC01736030