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NCID-ZINC05023606

 MMsINC code: MMs02429285
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+/m1/s1

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Potential Energy
Epot(MMFF94)=-13.6018 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: 0.0502978  Sterimol/B1: 2.40738  Sterimol/B2: 3.02036  Sterimol/B3: 3.05227
  Sterimol/B4: 6.16833  Sterimol/L: 16.3574 
 
 Surface and Volume Properties
  Accessible surface: 472.101  Positive charged surface: 309.192  Negative charged surface: 162.909  Volume: 224.25
  Hydrophobic surface: 245.097  Hydrophilic surface: 227.004
 
 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


MMs02429286
NCID-ZINC05023606