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PUBCHEM-ZINC03581347

 MMsINC code: MMs03017027
Type: Neutral
Formula: C10H24N4O
SMILES:   O=C(N)CCNCCCNCCCNC
InChI:   InChI=1/C10H24N4O/c1-12-5-2-6-13-7-3-8-14-9-4-10(11)15/h12-14H,2-9H2,1H3,(H2,11,15)

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Potential Energy
Epot(MMFF94)=-11.8521 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.329 g/mol  logS: 0.54462  SlogP: -0.9594  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0152205  Sterimol/B1: 2.57548  Sterimol/B2: 2.59587  Sterimol/B3: 2.97167
  Sterimol/B4: 3.16325  Sterimol/L: 20.3893 
 
 Surface and Volume Properties
  Accessible surface: 529.235  Positive charged surface: 458.145  Negative charged surface: 71.0894  Volume: 239.875
  Hydrophobic surface: 355.71  Hydrophilic surface: 173.525
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs03017028
PUBCHEM-ZINC03581347