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NIH-ZINC00616480

 MMsINC code: MMs02522085
Type: Neutral
Formula: C16H27NO4
SMILES:   O1CCCC1CNC(=O)C(C(OC)=O)C1CCCCCC1
InChI:   InChI=1/C16H27NO4/c1-20-16(19)14(12-7-4-2-3-5-8-12)15(18)17-11-13-9-6-10-21-13/h12-14H,2-11H2,1H3,(H,17,18)/t13-,14+/m1/s1

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Potential Energy
Epot(MMFF94)=62.356 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.395 g/mol  logS: -3.93927  SlogP: 2.0412  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0528428  Sterimol/B1: 2.16404  Sterimol/B2: 3.02614  Sterimol/B3: 3.45249
  Sterimol/B4: 8.30872  Sterimol/L: 16.198 
 
 Surface and Volume Properties
  Accessible surface: 551.154  Positive charged surface: 458.581  Negative charged surface: 92.5727  Volume: 300.375
  Hydrophobic surface: 501.869  Hydrophilic surface: 49.285
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.