MMsINC Database Search


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MMsINC code: MMs02448760

Type: Neutral
Formula: C₁₂H₂₄N₂O₂

SMILES:

O(C(=O)N(C)C)C1CCCN(C1)CCCC

InChI:

InChI=1/C12H24N2O2/c1-4-5-8-14-9-6-7-11(10-14)16-12(15)13(2)3/h11H,4-10H2,1-3H3/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=9.24112 kcal/mol

Physical Properties
Molecular Weight: 228.336 g/mol	logS: -1.22841	SlogP: 1.9491	Reactive groups: 0

Topological Properties
Globularity: 0.0603009	Sterimol/B1: 2.79036	Sterimol/B2: 3.33199	Sterimol/B3: 3.84851
Sterimol/B4: 5.38651	Sterimol/L: 16.5658

Surface and Volume Properties
Accessible surface: 507.972	Positive charged surface: 441.451	Negative charged surface: 66.5211	Volume: 248
Hydrophobic surface: 454.378	Hydrophilic surface: 53.594

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02448761
NCID-ZINC05203238