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ASINEX-ZINC04712968

 MMsINC code: MMs00362421
Type: Neutral
Formula: C11H18N2O2
SMILES:   O=C1N(C)C(=O)CC1N1CCC(CC1)C
InChI:   InChI=1/C11H18N2O2/c1-8-3-5-13(6-4-8)9-7-10(14)12(2)11(9)15/h8-9H,3-7H2,1-2H3/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=19.921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.277 g/mol  logS: -1.24245  SlogP: 0.4756  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.186619  Sterimol/B1: 2.68135  Sterimol/B2: 3.73483  Sterimol/B3: 3.75564
  Sterimol/B4: 4.64297  Sterimol/L: 12.1795 
 
 Surface and Volume Properties
  Accessible surface: 412.768  Positive charged surface: 312.703  Negative charged surface: 100.065  Volume: 210.5
  Hydrophobic surface: 318.532  Hydrophilic surface: 94.236
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00362422
ASINEX-ZINC04712968