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ACROSORGANICS-ZINC01532734

 MMsINC code: MMs00009073
Type: Neutral
Formula: C10H26N4
SMILES:   N(CCCCNCCCN)CCCN
InChI:   InChI=1/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-13.0246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.346 g/mol  logS: 0.68578  SlogP: -0.3566  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0171191  Sterimol/B1: 2.25518  Sterimol/B2: 2.51734  Sterimol/B3: 2.65494
  Sterimol/B4: 3.11998  Sterimol/L: 20.2578 
 
 Surface and Volume Properties
  Accessible surface: 530.133  Positive charged surface: 473.103  Negative charged surface: 57.0292  Volume: 240.375
  Hydrophobic surface: 357.376  Hydrophilic surface: 172.757
 
 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


MMs00009074
ACROSORGANICS-ZINC01532734