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CHEMBRIDGE-ZINC02017228

 MMsINC code: MMs00700471
Type: Neutral
Formula: C10H19NO5
SMILES:   OC(C(CO)(C)C)C(=O)NCCCC(O)=O
InChI:   InChI=1/C10H19NO5/c1-10(2,6-12)8(15)9(16)11-5-3-4-7(13)14/h8,12,15H,3-6H2,1-2H3,(H,11,16)(H,13,14)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=35.7846 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.264 g/mol  logS: -0.04287  SlogP: -0.6532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10657  Sterimol/B1: 2.40161  Sterimol/B2: 2.98902  Sterimol/B3: 4.76438
  Sterimol/B4: 5.63521  Sterimol/L: 14.4015 
 
 Surface and Volume Properties
  Accessible surface: 449.985  Positive charged surface: 307.799  Negative charged surface: 142.187  Volume: 220.125
  Hydrophobic surface: 204.509  Hydrophilic surface: 245.476
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00700472
CHEMBRIDGE-ZINC02017228