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PUBCHEM-ZINC05782188

 MMsINC code: MMs03383818
Type: Neutral
Formula: C18H31N3O5
SMILES:   O(C(=O)CCCCNC(=O)C1CCN(C1)C(=O)CNC(=O)CCCC)C
InChI:   InChI=1/C18H31N3O5/c1-3-4-7-15(22)20-12-16(23)21-11-9-14(13-21)18(25)19-10-6-5-8-17(24)26-2/h14H,3-13H2,1-2H3,(H,19,25)(H,20,22)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=30.5656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.462 g/mol  logS: -2.04255  SlogP: 0.6008  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0210648  Sterimol/B1: 2.5442  Sterimol/B2: 3.18592  Sterimol/B3: 3.92942
  Sterimol/B4: 5.61534  Sterimol/L: 27.3768 
 
 Surface and Volume Properties
  Accessible surface: 731.719  Positive charged surface: 576.973  Negative charged surface: 154.746  Volume: 370.625
  Hydrophobic surface: 540.335  Hydrophilic surface: 191.384
 
 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: no related molecules available.