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PUBCHEM-ZINC05847860

 MMsINC code: MMs03414848
Type: Ionized
Formula: C10H24N4O+2
SMILES:   O=C1NCC[NH2+]CCCNCC[NH2+]CC1
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)/p+2

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Potential Energy
Epot(MMFF94)=7.61187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.329 g/mol  logS: 0.75232  SlogP: -3.3872  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122761  Sterimol/B1: 2.54883  Sterimol/B2: 2.56906  Sterimol/B3: 3.23606
  Sterimol/B4: 8.35682  Sterimol/L: 11.031 
 
 Surface and Volume Properties
  Accessible surface: 428.622  Positive charged surface: 409.971  Negative charged surface: 18.6518  Volume: 230.625
  Hydrophobic surface: 327.491  Hydrophilic surface: 101.131
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 2
  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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Parent related molecule:


MMs03414847
PUBCHEM-ZINC05847860