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ASINEX-ZINC04712967

 MMsINC code: MMs00362419
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-/m1/s1

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Potential Energy
Epot(MMFF94)=20.0443 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: 0.0977257  Sterimol/B1: 2.52975  Sterimol/B2: 3.29026  Sterimol/B3: 4.05974
  Sterimol/B4: 4.26976  Sterimol/L: 12.92 
 
 Surface and Volume Properties
  Accessible surface: 419.054  Positive charged surface: 325.184  Negative charged surface: 93.8704  Volume: 210.5
  Hydrophobic surface: 319.957  Hydrophilic surface: 99.097
 
 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


MMs00362420
ASINEX-ZINC04712967