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NCID-ZINC01562545

 MMsINC code: MMs02224473
Type: Neutral
Formula: C10H19ClN2O3
SMILES:   ClCCNC(=O)NC1C(O)CC(CC1O)C
InChI:   InChI=1/C10H19ClN2O3/c1-6-4-7(14)9(8(15)5-6)13-10(16)12-3-2-11/h6-9,14-15H,2-5H2,1H3,(H2,12,13,16)/t6-,7+,8-,9+

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Potential Energy
Epot(MMFF94)=21.4636 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.726 g/mol  logS: -1.2339  SlogP: 0.0447  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.186091  Sterimol/B1: 2.18371  Sterimol/B2: 2.40718  Sterimol/B3: 5.45489
  Sterimol/B4: 6.09467  Sterimol/L: 14.3867 
 
 Surface and Volume Properties
  Accessible surface: 471.058  Positive charged surface: 322.498  Negative charged surface: 148.561  Volume: 230.875
  Hydrophobic surface: 242.885  Hydrophilic surface: 228.173
 
 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: no related molecules available.