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PUBCHEM-ZINC04521850

 MMsINC code: MMs03127963
Type: Ionized
Formula: C10H22N4O2+2
SMILES:   O=C1NCC[NH2+]CCC[NH2+]CCNC(=O)C1
InChI:   InChI=1/C10H20N4O2/c15-9-8-10(16)14-7-5-12-3-1-2-11-4-6-13-9/h11-12H,1-8H2,(H,13,15)(H,14,16)/p+2

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Potential Energy
Epot(MMFF94)=13.5646 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.312 g/mol  logS: 0.34669  SlogP: -3.8606  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131281  Sterimol/B1: 2.57498  Sterimol/B2: 2.98564  Sterimol/B3: 3.61588
  Sterimol/B4: 7.86042  Sterimol/L: 11.2004 
 
 Surface and Volume Properties
  Accessible surface: 428.196  Positive charged surface: 382.67  Negative charged surface: 45.5256  Volume: 232.5
  Hydrophobic surface: 290.145  Hydrophilic surface: 138.051
 
 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: 0
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Parent related molecule:


MMs03127960
PUBCHEM-ZINC04521850