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APOLLO-ZINC00154382

 MMsINC code: MMs00044482
Type: Neutral
Formula: C12H25N3
SMILES:   N(C1CCN(CC1)C)C1CCN(CC1)C
InChI:   InChI=1/C12H25N3/c1-14-7-3-11(4-8-14)13-12-5-9-15(2)10-6-12/h11-13H,3-10H2,1-2H3

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Potential Energy
Epot(MMFF94)=7.09241 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.353 g/mol  logS: -0.25802  SlogP: 0.7644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0910688  Sterimol/B1: 2.57825  Sterimol/B2: 3.32843  Sterimol/B3: 3.88414
  Sterimol/B4: 4.28449  Sterimol/L: 15.0406 
 
 Surface and Volume Properties
  Accessible surface: 459.932  Positive charged surface: 427.949  Negative charged surface: 31.9827  Volume: 239.5
  Hydrophobic surface: 441.357  Hydrophilic surface: 18.575
 
 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


MMs00044483
APOLLO-ZINC00154382