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MMsINC code: MMs02343082

Type: Neutral
Formula: C₁₀H₂₄N₂O₂

SMILES:

OC(C(O)CCN(C)C)CCN(C)C

InChI:

InChI=1/C10H24N2O2/c1-11(2)7-5-9(13)10(14)6-8-12(3)4/h9-10,13-14H,5-8H2,1-4H3/t9-,10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.3272 kcal/mol

Physical Properties
Molecular Weight: 204.314 g/mol	logS: 0.61522	SlogP: -0.3884	Reactive groups: 0

Topological Properties
Globularity: 0.0623634	Sterimol/B1: 2.45403	Sterimol/B2: 3.50442	Sterimol/B3: 3.61663
Sterimol/B4: 4.25571	Sterimol/L: 15.7872

Surface and Volume Properties
Accessible surface: 468.87	Positive charged surface: 430.874	Negative charged surface: 37.996	Volume: 231
Hydrophobic surface: 391.443	Hydrophilic surface: 77.427

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02343083
NCID-ZINC01717666