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PUBCHEM-ZINC05672097

 MMsINC code: MMs03342586
Type: Neutral
Formula: C15H21ClN2O3
SMILES:   ClC=1CC2C(CC=1)C(=O)N(CCC(=O)N(CC)CC)C2=O
InChI:   InChI=1/C15H21ClN2O3/c1-3-17(4-2)13(19)7-8-18-14(20)11-6-5-10(16)9-12(11)15(18)21/h5,11-12H,3-4,6-9H2,1-2H3/t11-,12+/m0/s1

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Potential Energy
Epot(MMFF94)=3.86291 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.797 g/mol  logS: -1.55848  SlogP: 1.8715  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0633457  Sterimol/B1: 2.30183  Sterimol/B2: 3.51215  Sterimol/B3: 3.58419
  Sterimol/B4: 6.3371  Sterimol/L: 16.3995 
 
 Surface and Volume Properties
  Accessible surface: 543.086  Positive charged surface: 329.881  Negative charged surface: 213.205  Volume: 291.625
  Hydrophobic surface: 398.029  Hydrophilic surface: 145.057
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.