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CHEMBRIDGE-ZINC04949665

 MMsINC code: MMs00813442
Type: Neutral
Formula: C14H20ClNO3
SMILES:   ClC=1CC(C(=O)NC2CCCCC2)C(CC=1)C(O)=O
InChI:   InChI=1/C14H20ClNO3/c15-9-6-7-11(14(18)19)12(8-9)13(17)16-10-4-2-1-3-5-10/h6,10-12H,1-5,7-8H2,(H,16,17)(H,18,19)/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=15.8961 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.771 g/mol  logS: -1.99238  SlogP: 2.7777  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0535274  Sterimol/B1: 2.89967  Sterimol/B2: 3.3978  Sterimol/B3: 5.19891
  Sterimol/B4: 5.82193  Sterimol/L: 14.3252 
 
 Surface and Volume Properties
  Accessible surface: 502.613  Positive charged surface: 326.4  Negative charged surface: 176.213  Volume: 263.625
  Hydrophobic surface: 388.697  Hydrophilic surface: 113.916
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00813443
CHEMBRIDGE-ZINC04949665