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CHEMBRIDGE-ZINC04179811

 MMsINC code: MMs00764898
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)=94.2219 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: 0.0947727  Sterimol/B1: 2.93685  Sterimol/B2: 3.68813  Sterimol/B3: 4.21776
  Sterimol/B4: 4.98746  Sterimol/L: 14.3037 
 
 Surface and Volume Properties
  Accessible surface: 484.986  Positive charged surface: 378.307  Negative charged surface: 106.679  Volume: 254.875
  Hydrophobic surface: 384.175  Hydrophilic surface: 100.811
 
 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


MMs00764899
CHEMBRIDGE-ZINC04179811