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PUBCHEM-ZINC05735758

 MMsINC code: MMs03365676
Type: Neutral
Formula: C10H22N2
SMILES:   NC1CC(CCC1C)C(N)(C)C
InChI:   InChI=1/C10H22N2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h7-9H,4-6,11-12H2,1-3H3/t7-,8-,9+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.0804 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.3 g/mol  logS: -0.8617  SlogP: 1.4872  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.20911  Sterimol/B1: 3.3026  Sterimol/B2: 3.40369  Sterimol/B3: 3.67952
  Sterimol/B4: 4.13272  Sterimol/L: 11.0337 
 
 Surface and Volume Properties
  Accessible surface: 379.614  Positive charged surface: 292.847  Negative charged surface: 86.7668  Volume: 197.375
  Hydrophobic surface: 234.614  Hydrophilic surface: 145
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03365677
PUBCHEM-ZINC05735758