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NCID-ZINC01640356

 MMsINC code: MMs02282400
Type: Neutral
Formula: C10H17ClN2O3
SMILES:   ClCCNC(=O)NC1CC(CCC1)C(O)=O
InChI:   InChI=1/C10H17ClN2O3/c11-4-5-12-10(16)13-8-3-1-2-7(6-8)9(14)15/h7-8H,1-6H2,(H,14,15)(H2,12,13,16)/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=-11.3372 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.71 g/mol  logS: -1.07785  SlogP: 1.1678  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.114123  Sterimol/B1: 2.21781  Sterimol/B2: 2.79289  Sterimol/B3: 4.84319
  Sterimol/B4: 5.30205  Sterimol/L: 15.0062 
 
 Surface and Volume Properties
  Accessible surface: 461.075  Positive charged surface: 295.171  Negative charged surface: 165.905  Volume: 223
  Hydrophobic surface: 245.833  Hydrophilic surface: 215.242
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02282401
NCID-ZINC01640356