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IBS-ZINC00534678

 MMsINC code: MMs01749000
Type: Neutral
Formula: C10H18N2O3
SMILES:   OC(=O)C(NC(=O)N1CCCCC1C)C
InChI:   InChI=1/C10H18N2O3/c1-7-5-3-4-6-12(7)10(15)11-8(2)9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=27.3212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.265 g/mol  logS: -0.90275  SlogP: 1.0435  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108876  Sterimol/B1: 2.08791  Sterimol/B2: 2.70407  Sterimol/B3: 3.74916
  Sterimol/B4: 6.72896  Sterimol/L: 12.3833 
 
 Surface and Volume Properties
  Accessible surface: 427.098  Positive charged surface: 312.125  Negative charged surface: 114.972  Volume: 209.375
  Hydrophobic surface: 278.131  Hydrophilic surface: 148.967
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs01749001
IBS-ZINC00534678