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IBS-ZINC02414521

 MMsINC code: MMs01856353
Type: Neutral
Formula: C11H22N2O3
SMILES:   O(C(=O)C(NC(=O)NCCC)CC(C)C)C
InChI:   InChI=1/C11H22N2O3/c1-5-6-12-11(15)13-9(7-8(2)3)10(14)16-4/h8-9H,5-7H2,1-4H3,(H2,12,13,15)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=4.83197 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.308 g/mol  logS: -2.1009  SlogP: 1.2833  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0819378  Sterimol/B1: 3.21056  Sterimol/B2: 3.54384  Sterimol/B3: 5.1162
  Sterimol/B4: 6.08601  Sterimol/L: 14.1194 
 
 Surface and Volume Properties
  Accessible surface: 505.319  Positive charged surface: 383.989  Negative charged surface: 121.33  Volume: 241.875
  Hydrophobic surface: 356.168  Hydrophilic surface: 149.151
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.