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PUBCHEM-ZINC04614345

 MMsINC code: MMs03141676
Type: Neutral
Formula: C14H23NO3
SMILES:   OC(=O)C1CCCCC1C(=O)N1CCCCC1C
InChI:   InChI=1/C14H23NO3/c1-10-6-4-5-9-15(10)13(16)11-7-2-3-8-12(11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)/t10-,11+,12+/m1/s1

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Potential Energy
Epot(MMFF94)=44.6184 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.342 g/mol  logS: -1.8301  SlogP: 2.2784  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196499  Sterimol/B1: 2.30948  Sterimol/B2: 3.35247  Sterimol/B3: 5.32759
  Sterimol/B4: 5.62178  Sterimol/L: 12.4784 
 
 Surface and Volume Properties
  Accessible surface: 462.18  Positive charged surface: 354.008  Negative charged surface: 108.172  Volume: 252.875
  Hydrophobic surface: 363.838  Hydrophilic surface: 98.342
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03141677
PUBCHEM-ZINC04614345