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ENAMINE-ZINC03361786

 MMsINC code: MMs01396298
Type: Neutral
Formula: C19H26ClN3O3
SMILES:   Clc1ccccc1CNC(=O)CN1C(=O)C(NC1=O)(CCCCCC)C
InChI:   InChI=1/C19H26ClN3O3/c1-3-4-5-8-11-19(2)17(25)23(18(26)22-19)13-16(24)21-12-14-9-6-7-10-15(14)20/h6-7,9-10H,3-5,8,11-13H2,1-2H3,(H,21,24)(H,22,26)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.8699 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.888 g/mol  logS: -5.62632  SlogP: 3.5035  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0305765  Sterimol/B1: 3.07885  Sterimol/B2: 3.58796  Sterimol/B3: 3.99093
  Sterimol/B4: 4.4019  Sterimol/L: 22.8783 
 
 Surface and Volume Properties
  Accessible surface: 674.023  Positive charged surface: 414.895  Negative charged surface: 259.128  Volume: 365.625
  Hydrophobic surface: 501.418  Hydrophilic surface: 172.605
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.