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PUBCHEM-ZINC05847860

 MMsINC code: MMs03414847
Type: Neutral
Formula: C10H22N4O
SMILES:   O=C1NCCNCCCNCCNCC1
InChI:   InChI=1/C10H22N4O/c15-10-2-5-13-7-6-11-3-1-4-12-8-9-14-10/h11-13H,1-9H2,(H,14,15)

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Potential Energy
Epot(MMFF94)=51.7372 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.313 g/mol  logS: 0.70354  SlogP: -1.3348  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160449  Sterimol/B1: 2.76798  Sterimol/B2: 3.11718  Sterimol/B3: 3.42938
  Sterimol/B4: 7.13929  Sterimol/L: 10.5754 
 
 Surface and Volume Properties
  Accessible surface: 418.972  Positive charged surface: 360.914  Negative charged surface: 58.0578  Volume: 224.625
  Hydrophobic surface: 326.555  Hydrophilic surface: 92.417
 
 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


MMs03414848
PUBCHEM-ZINC05847860