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NCID-ZINC01529314

 MMsINC code: MMs02218735
Type: Neutral
Formula: C10H18N2O3
SMILES:   O=C1NC(CCCCCC(O)=O)C(N1)C
InChI:   InChI=1/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1

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Potential Energy
Epot(MMFF94)=2.69104 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.265 g/mol  logS: -1.07867  SlogP: 1.0914  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0516531  Sterimol/B1: 2.10676  Sterimol/B2: 2.81687  Sterimol/B3: 3.46377
  Sterimol/B4: 5.98747  Sterimol/L: 15.0458 
 
 Surface and Volume Properties
  Accessible surface: 447.339  Positive charged surface: 316.413  Negative charged surface: 130.926  Volume: 209
  Hydrophobic surface: 221.634  Hydrophilic surface: 225.705
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02218736
NCID-ZINC01529314