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ENAMINE-ZINC03249362

 MMsINC code: MMs01329735
Type: Neutral
Formula: C19H20ClN3O3
SMILES:   Clc1ccc(cc1)C(=O)NC(CCC(=O)N)C(=O)NCc1ccccc1
InChI:   InChI=1/C19H20ClN3O3/c20-15-8-6-14(7-9-15)18(25)23-16(10-11-17(21)24)19(26)22-12-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H2,21,24)(H,22,26)(H,23,25)/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.0644 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.84 g/mol  logS: -4.56802  SlogP: 2.2867  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0603342  Sterimol/B1: 3.34124  Sterimol/B2: 3.93316  Sterimol/B3: 4.37528
  Sterimol/B4: 6.93176  Sterimol/L: 19.5707 
 
 Surface and Volume Properties
  Accessible surface: 661.102  Positive charged surface: 356.037  Negative charged surface: 305.065  Volume: 345.375
  Hydrophobic surface: 482.727  Hydrophilic surface: 178.375
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.