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NCID-ZINC05372674

 MMsINC code: MMs02456504
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+/m0/s1

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Potential Energy
Epot(MMFF94)=16.142 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: 0.174998  Sterimol/B1: 2.1339  Sterimol/B2: 3.97613  Sterimol/B3: 4.22829
  Sterimol/B4: 5.87556  Sterimol/L: 14.3354 
 
 Surface and Volume Properties
  Accessible surface: 470.266  Positive charged surface: 316.214  Negative charged surface: 154.051  Volume: 228.375
  Hydrophobic surface: 238.201  Hydrophilic surface: 232.065
 
 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.