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ENAMINE-ZINC03592580

 MMsINC code: MMs01519177
Type: Neutral
Formula: C18H21Cl2N3O3
SMILES:   Clc1cc(Cl)ccc1CNC(=O)CN1C(=O)C2(NC1=O)CCC(CC2)C
InChI:   InChI=1/C18H21Cl2N3O3/c1-11-4-6-18(7-5-11)16(25)23(17(26)22-18)10-15(24)21-9-12-2-3-13(19)8-14(12)20/h2-3,8,11H,4-7,9-10H2,1H3,(H,21,24)(H,22,26)/t11-,18+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.3291 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.29 g/mol  logS: -5.4299  SlogP: 3.3767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0456609  Sterimol/B1: 3.09576  Sterimol/B2: 3.40138  Sterimol/B3: 4.30486
  Sterimol/B4: 4.65442  Sterimol/L: 20.8191 
 
 Surface and Volume Properties
  Accessible surface: 634.97  Positive charged surface: 340.716  Negative charged surface: 294.253  Volume: 350
  Hydrophobic surface: 484.826  Hydrophilic surface: 150.144
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.