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IFLAB-ZINC01732834

 MMsINC code: MMs01985294
Type: Neutral
Formula: C15H25NO4
SMILES:   O=C1N(CCCCCCCCCCC(O)=O)C(=O)CC1
InChI:   InChI=1/C15H25NO4/c17-13-10-11-14(18)16(13)12-8-6-4-2-1-3-5-7-9-15(19)20/h1-12H2,(H,19,20)

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Potential Energy
Epot(MMFF94)=-14.9632 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.368 g/mol  logS: -3.01628  SlogP: 2.7309  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0272825  Sterimol/B1: 2.5047  Sterimol/B2: 3.22587  Sterimol/B3: 3.96237
  Sterimol/B4: 4.76861  Sterimol/L: 21.2251 
 
 Surface and Volume Properties
  Accessible surface: 589.832  Positive charged surface: 422.132  Negative charged surface: 167.7  Volume: 288.5
  Hydrophobic surface: 410.316  Hydrophilic surface: 179.516
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs01985295
IFLAB-ZINC01732834