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IFLAB-ZINC03881253

 MMsINC code: MMs02006303
Type: Neutral
Formula: C10H19NO4
SMILES:   O(C(=O)C(N(CC)CC)CC(OC)=O)C
InChI:   InChI=1/C10H19NO4/c1-5-11(6-2)8(10(13)15-4)7-9(12)14-3/h8H,5-7H2,1-4H3/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=69.8637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.265 g/mol  logS: -0.84111  SlogP: 0.4329  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.107468  Sterimol/B1: 2.77424  Sterimol/B2: 3.16535  Sterimol/B3: 3.74645
  Sterimol/B4: 6.16406  Sterimol/L: 12.4804 
 
 Surface and Volume Properties
  Accessible surface: 439.675  Positive charged surface: 346.518  Negative charged surface: 93.1571  Volume: 216.25
  Hydrophobic surface: 344.698  Hydrophilic surface: 94.977
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs02006304
IFLAB-ZINC03881253