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ENAMINE-ZINC05342198

 MMsINC code: MMs01608068
Type: Neutral
Formula: C19H25Cl2N3O3
SMILES:   Clc1cc(Cl)ccc1CNC(=O)CN1C(=O)C(NC1=O)(CCCCCC)C
InChI:   InChI=1/C19H25Cl2N3O3/c1-3-4-5-6-9-19(2)17(26)24(18(27)23-19)12-16(25)22-11-13-7-8-14(20)10-15(13)21/h7-8,10H,3-6,9,11-12H2,1-2H3,(H,22,25)(H,23,27)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.9515 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.333 g/mol  logS: -6.36061  SlogP: 4.1569  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0307043  Sterimol/B1: 3.32914  Sterimol/B2: 3.57508  Sterimol/B3: 3.96138
  Sterimol/B4: 4.42021  Sterimol/L: 24.0406 
 
 Surface and Volume Properties
  Accessible surface: 699.248  Positive charged surface: 392.483  Negative charged surface: 306.766  Volume: 378.25
  Hydrophobic surface: 526.644  Hydrophilic surface: 172.604
 
 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.