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PUBCHEM-ZINC03643522

 MMsINC code: MMs03032230
Type: Neutral
Formula: C8H20N2
SMILES:   N(CCCNC(C)C)(C)C
InChI:   InChI=1/C8H20N2/c1-8(2)9-6-5-7-10(3)4/h8-9H,5-7H2,1-4H3

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Potential Energy
Epot(MMFF94)=7.36449 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.262 g/mol  logS: -0.11156  SlogP: 0.9361  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0506125  Sterimol/B1: 2.40121  Sterimol/B2: 2.71374  Sterimol/B3: 3.08114
  Sterimol/B4: 4.65102  Sterimol/L: 13.1319 
 
 Surface and Volume Properties
  Accessible surface: 402.02  Positive charged surface: 349.685  Negative charged surface: 52.3348  Volume: 179.625
  Hydrophobic surface: 341.246  Hydrophilic surface: 60.774
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs03032231
PUBCHEM-ZINC03643522