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IBS-ZINC02199232

 MMsINC code: MMs01799907
Type: Neutral
Formula: C11H21N3O4
SMILES:   O1CCN(CC1)CCNC(=O)NC(C(OC)=O)C
InChI:   InChI=1/C11H21N3O4/c1-9(10(15)17-2)13-11(16)12-3-4-14-5-7-18-8-6-14/h9H,3-8H2,1-2H3,(H2,12,13,16)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=34.0278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.306 g/mol  logS: -0.52908  SlogP: -0.8207  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0549422  Sterimol/B1: 2.16408  Sterimol/B2: 2.35958  Sterimol/B3: 4.49705
  Sterimol/B4: 5.13103  Sterimol/L: 17.7967 
 
 Surface and Volume Properties
  Accessible surface: 524.451  Positive charged surface: 439.107  Negative charged surface: 85.3435  Volume: 250
  Hydrophobic surface: 390.654  Hydrophilic surface: 133.797
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs01799908
IBS-ZINC02199232