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ENAMINE-ZINC03595667

 MMsINC code: MMs01519818
Type: Neutral
Formula: C19H24ClN3O3
SMILES:   Clc1ccc(cc1)CCNC(=O)CN1C(=O)C2(NC1=O)CCCCC2C
InChI:   InChI=1/C19H24ClN3O3/c1-13-4-2-3-10-19(13)17(25)23(18(26)22-19)12-16(24)21-11-9-14-5-7-15(20)8-6-14/h5-8,13H,2-4,9-12H2,1H3,(H,21,24)(H,22,26)/t13-,19+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.6315 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.872 g/mol  logS: -4.44363  SlogP: 2.49937  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0501558  Sterimol/B1: 2.15434  Sterimol/B2: 3.33707  Sterimol/B3: 4.55151
  Sterimol/B4: 6.80876  Sterimol/L: 19.6393 
 
 Surface and Volume Properties
  Accessible surface: 638.847  Positive charged surface: 375.895  Negative charged surface: 262.951  Volume: 351.875
  Hydrophobic surface: 500.71  Hydrophilic surface: 138.137
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.