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CHEMBRIDGE-ZINC04179813

 MMsINC code: MMs00764902
Type: Neutral
Formula: C14H21NO4
SMILES:   O1CCCC1CNC(=O)C1C2CC(CC2)C1C(O)=O
InChI:   InChI=1/C14H21NO4/c16-13(15-7-10-2-1-5-19-10)11-8-3-4-9(6-8)12(11)14(17)18/h8-12H,1-7H2,(H,15,16)(H,17,18)/t8-,9+,10+,11+,12+/m1/s1

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Potential Energy
Epot(MMFF94)=49.6765 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.325 g/mol  logS: -1.96293  SlogP: 1.0285  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0812432  Sterimol/B1: 2.97945  Sterimol/B2: 3.95086  Sterimol/B3: 4.0591
  Sterimol/B4: 5.23237  Sterimol/L: 14.6341 
 
 Surface and Volume Properties
  Accessible surface: 498.027  Positive charged surface: 373.19  Negative charged surface: 124.837  Volume: 255.375
  Hydrophobic surface: 381.235  Hydrophilic surface: 116.792
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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


MMs00764903
CHEMBRIDGE-ZINC04179813