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CHEMDIV-ZINC00270366

 MMsINC code: MMs00848981
Type: Neutral
Formula: C18H25ClN2O
SMILES:   Clc1ccc(cc1)C(N1CCCC1)C(=O)NC1CCCCC1
InChI:   InChI=1/C18H25ClN2O/c19-15-10-8-14(9-11-15)17(21-12-4-5-13-21)18(22)20-16-6-2-1-3-7-16/h8-11,16-17H,1-7,12-13H2,(H,20,22)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.8317 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.864 g/mol  logS: -4.18671  SlogP: 4.0213  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.091329  Sterimol/B1: 2.47239  Sterimol/B2: 5.00135  Sterimol/B3: 5.20161
  Sterimol/B4: 7.83907  Sterimol/L: 14.1056 
 
 Surface and Volume Properties
  Accessible surface: 581.459  Positive charged surface: 391.973  Negative charged surface: 189.487  Volume: 320.625
  Hydrophobic surface: 556.323  Hydrophilic surface: 25.136
 
 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


MMs00848982
CHEMDIV-ZINC00270366