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ENAMINE-ZINC03263818

 MMsINC code: MMs01338343
Type: Neutral
Formula: C17H14ClNO3
SMILES:   Clc1ccc(cc1)CNC(=O)CC1OC(=O)c2c1cccc2
InChI:   InChI=1/C17H14ClNO3/c18-12-7-5-11(6-8-12)10-19-16(20)9-15-13-3-1-2-4-14(13)17(21)22-15/h1-8,15H,9-10H2,(H,19,20)/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=45.3396 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.756 g/mol  logS: -4.44569  SlogP: 3.6199  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0584992  Sterimol/B1: 2.5152  Sterimol/B2: 3.42818  Sterimol/B3: 3.91779
  Sterimol/B4: 6.76237  Sterimol/L: 17.9387 
 
 Surface and Volume Properties
  Accessible surface: 559.794  Positive charged surface: 282.516  Negative charged surface: 277.279  Volume: 285.75
  Hydrophobic surface: 442.343  Hydrophilic surface: 117.451
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.