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IBS-ZINC02393198

 MMsINC code: MMs01849340
Type: Neutral
Formula: C11H20N2O3
SMILES:   OC(=O)C(NC(=O)N1CCCCC1)C(C)C
InChI:   InChI=1/C11H20N2O3/c1-8(2)9(10(14)15)12-11(16)13-6-4-3-5-7-13/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=16.3945 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -0.97908  SlogP: 1.2911  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113567  Sterimol/B1: 3.46234  Sterimol/B2: 3.61174  Sterimol/B3: 4.08335
  Sterimol/B4: 4.52314  Sterimol/L: 13.1109 
 
 Surface and Volume Properties
  Accessible surface: 449.378  Positive charged surface: 332.066  Negative charged surface: 117.312  Volume: 228.125
  Hydrophobic surface: 307.22  Hydrophilic surface: 142.158
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01849341
IBS-ZINC02393198