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NCID-ZINC01685563

MMsINC code: MMs02318735

Type: Neutral
Formula: C₁₁H₂₃NO

SMILES:

OCCCCCNC1CCCCC1

InChI:

InChI=1/C11H23NO/c13-10-6-2-5-9-12-11-7-3-1-4-8-11/h11-13H,1-10H2

Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=1.88826 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 185.311 g/mol	logS: -1.23139	SlogP: 2.0713	Reactive groups: 0

Topological Properties
Globularity: 0.0479308	Sterimol/B1: 2.95092	Sterimol/B2: 3.23006	Sterimol/B3: 3.49019
Sterimol/B4: 4.16223	Sterimol/L: 15.9777

Surface and Volume Properties
Accessible surface: 455.279	Positive charged surface: 378.749	Negative charged surface: 76.5304	Volume: 214.75
Hydrophobic surface: 386.774	Hydrophilic surface: 68.505

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

MMs02318736
NCID-ZINC01685563