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NCID-ZINC01557759

 MMsINC code: MMs02220867
Type: Neutral
Formula: C11H19ClN2O3
SMILES:   ClCCNC(=O)N(C)C1CCC(CC1)C(O)=O
InChI:   InChI=1/C11H19ClN2O3/c1-14(11(17)13-7-6-12)9-4-2-8(3-5-9)10(15)16/h8-9H,2-7H2,1H3,(H,13,17)(H,15,16)/t8-,9-

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Potential Energy
Epot(MMFF94)=2.98345 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.737 g/mol  logS: -0.97186  SlogP: 1.51  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0867527  Sterimol/B1: 2.02682  Sterimol/B2: 3.47639  Sterimol/B3: 3.79892
  Sterimol/B4: 5.20588  Sterimol/L: 16.928 
 
 Surface and Volume Properties
  Accessible surface: 489.973  Positive charged surface: 327.918  Negative charged surface: 162.055  Volume: 243.25
  Hydrophobic surface: 290.445  Hydrophilic surface: 199.528
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02220868
NCID-ZINC01557759