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PUBCHEM-ZINC01845404

 MMsINC code: MMs02823760
Type: Neutral
Formula: C10H26N4
SMILES:   N(CCCNC)CCNCCCNC
InChI:   InChI=1/C10H26N4/c1-11-5-3-7-13-9-10-14-8-4-6-12-2/h11-14H,3-10H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.30643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.346 g/mol  logS: 0.93816  SlogP: -0.6154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0156297  Sterimol/B1: 2.69101  Sterimol/B2: 2.73622  Sterimol/B3: 2.80471
  Sterimol/B4: 3.03125  Sterimol/L: 20.5886 
 
 Surface and Volume Properties
  Accessible surface: 532.087  Positive charged surface: 495.827  Negative charged surface: 36.2594  Volume: 242.375
  Hydrophobic surface: 440.488  Hydrophilic surface: 91.599
 
 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


MMs02823761
PUBCHEM-ZINC01845404