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NCID-ZINC01870705

 MMsINC code: MMs02376250
Type: Neutral
Formula: C10H25N3
SMILES:   N(CCCNCCCN(C)C)(C)C
InChI:   InChI=1/C10H25N3/c1-12(2)9-5-7-11-8-6-10-13(3)4/h11H,5-10H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.0673 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.331 g/mol  logS: 0.4432  SlogP: 0.4794  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0416035  Sterimol/B1: 2.37503  Sterimol/B2: 2.49885  Sterimol/B3: 3.68151
  Sterimol/B4: 3.93858  Sterimol/L: 16.8695 
 
 Surface and Volume Properties
  Accessible surface: 482.793  Positive charged surface: 466.129  Negative charged surface: 16.6638  Volume: 226.875
  Hydrophobic surface: 457.645  Hydrophilic surface: 25.148
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs02376251
NCID-ZINC01870705