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IBS-ZINC02424346

 MMsINC code: MMs01859562
Type: Neutral
Formula: C13H25N3O4
SMILES:   O1CCN(CC1)CCNC(=O)NC(C(CC)C)C(O)=O
InChI:   InChI=1/C13H25N3O4/c1-3-10(2)11(12(17)18)15-13(19)14-4-5-16-6-8-20-9-7-16/h10-11H,3-9H2,1-2H3,(H,17,18)(H2,14,15,19)/t10-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=38.5374 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.36 g/mol  logS: -1.03551  SlogP: 0.1171  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0471312  Sterimol/B1: 2.46019  Sterimol/B2: 2.70401  Sterimol/B3: 3.99015
  Sterimol/B4: 7.46639  Sterimol/L: 16.4836 
 
 Surface and Volume Properties
  Accessible surface: 555.219  Positive charged surface: 428.117  Negative charged surface: 127.103  Volume: 283.375
  Hydrophobic surface: 369.219  Hydrophilic surface: 186
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.