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ANALYTICONDISCOVERY-ZINC04222743

 MMsINC code: MMs00031248
Type: Neutral
Formula: C14H24N2O5
SMILES:   O1C2C(OCC2OCC(=O)N)C(NC(=O)C(CC)CC)C1
InChI:   InChI=1/C14H24N2O5/c1-3-8(4-2)14(18)16-9-5-20-13-10(6-21-12(9)13)19-7-11(15)17/h8-10,12-13H,3-7H2,1-2H3,(H2,15,17)(H,16,18)/t9-,10+,12+,13+/m0/s1

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Potential Energy
Epot(MMFF94)=88.8262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.355 g/mol  logS: -2.20861  SlogP: -0.4245  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0505093  Sterimol/B1: 2.56424  Sterimol/B2: 2.89672  Sterimol/B3: 4.17726
  Sterimol/B4: 6.25994  Sterimol/L: 17.5253 
 
 Surface and Volume Properties
  Accessible surface: 567.495  Positive charged surface: 435.135  Negative charged surface: 132.36  Volume: 287.375
  Hydrophobic surface: 350.525  Hydrophilic surface: 216.97
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.