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PUBCHEM-ZINC06039671

 MMsINC code: MMs03508497
Type: Neutral
Formula: C10H22N2O
SMILES:   O=C(NCCCN(C)C)CCCC
InChI:   InChI=1/C10H22N2O/c1-4-5-7-10(13)11-8-6-9-12(2)3/h4-9H2,1-3H3,(H,11,13)

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Potential Energy
Epot(MMFF94)=8.17487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.299 g/mol  logS: -1.10234  SlogP: 1.2445  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.027082  Sterimol/B1: 2.7436  Sterimol/B2: 2.88831  Sterimol/B3: 3.09325
  Sterimol/B4: 3.72099  Sterimol/L: 17.0236 
 
 Surface and Volume Properties
  Accessible surface: 468.943  Positive charged surface: 405.848  Negative charged surface: 63.0956  Volume: 215.375
  Hydrophobic surface: 393.301  Hydrophilic surface: 75.642
 
 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


MMs03508498
PUBCHEM-ZINC06039671