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ENAMINE-ZINC05205279

 MMsINC code: MMs01596100
Type: Neutral
Formula: C15H15ClN2O3
SMILES:   Clc1ccc(NC(=O)C(OC(=O)c2n(ccc2)C)C)cc1
InChI:   InChI=1/C15H15ClN2O3/c1-10(21-15(20)13-4-3-9-18(13)2)14(19)17-12-7-5-11(16)6-8-12/h3-10H,1-2H3,(H,17,19)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=60.6268 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.749 g/mol  logS: -3.31469  SlogP: 3.2217  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0594465  Sterimol/B1: 2.12289  Sterimol/B2: 2.31793  Sterimol/B3: 4.67361
  Sterimol/B4: 6.40892  Sterimol/L: 17.4428 
 
 Surface and Volume Properties
  Accessible surface: 549.072  Positive charged surface: 289.71  Negative charged surface: 259.362  Volume: 280.125
  Hydrophobic surface: 438.04  Hydrophilic surface: 111.032
 
 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.