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NCID-ZINC01669250

 MMsINC code: MMs02305374
Type: Tautomer
Formula: C9H20N2
SMILES:   N1(CCCN(C)C1CCC)C
InChI:   InChI=1/C9H20N2/c1-4-6-9-10(2)7-5-8-11(9)3/h9H,4-8H2,1-3H3

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Drug Similarity  
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Potential Energy
Epot(MMFF94)=5.20571 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.273 g/mol  logS: -0.66186  SlogP: 1.3799  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.201154  Sterimol/B1: 2.82978  Sterimol/B2: 3.7081  Sterimol/B3: 4.76829
  Sterimol/B4: 4.78702  Sterimol/L: 10.6039 
 
 Surface and Volume Properties
  Accessible surface: 370.583  Positive charged surface: 328.453  Negative charged surface: 42.1301  Volume: 184
  Hydrophobic surface: 346.724  Hydrophilic surface: 23.859
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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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MMs02305373
NCID-ZINC01669250