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MMsINC code: MMs02335202

Type: Neutral
Formula: C₁₂H₂₆N₂O₂

SMILES:

OCCN1CC(N(CC1(C)C)CCO)(C)C

InChI:

InChI=1/C12H26N2O2/c1-11(2)9-14(6-8-16)12(3,4)10-13(11)5-7-15/h15-16H,5-10H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.612 kcal/mol

Physical Properties
Molecular Weight: 230.352 g/mol	logS: -0.43892	SlogP: 0.1458	Reactive groups: 0

Topological Properties
Globularity: 0.21392	Sterimol/B1: 2.3397	Sterimol/B2: 2.52794	Sterimol/B3: 4.35332
Sterimol/B4: 7.24949	Sterimol/L: 12.4337

Surface and Volume Properties
Accessible surface: 443.468	Positive charged surface: 358.693	Negative charged surface: 84.776	Volume: 247.625
Hydrophobic surface: 294.484	Hydrophilic surface: 148.984

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02335203
NCID-ZINC01706762