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NCID-ZINC01655953

 MMsINC code: MMs02294489
Type: Ionized
Formula: C18H16Cl2NO5-
SMILES:   Clc1cc(Cl)ccc1OC(C(=O)NC(Cc1ccc(O)cc1)C(=O)[O-])C
InChI:   InChI=1/C18H17Cl2NO5/c1-10(26-16-7-4-12(19)9-14(16)20)17(23)21-15(18(24)25)8-11-2-5-13(22)6-3-11/h2-7,9-10,15,22H,8H2,1H3,(H,21,23)(H,24,25)/p-1/t10-,15+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.8419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.234 g/mol  logS: -5.12733  SlogP: 1.94367  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101368  Sterimol/B1: 3.40243  Sterimol/B2: 3.84694  Sterimol/B3: 4.58877
  Sterimol/B4: 8.12315  Sterimol/L: 16.591 
 
 Surface and Volume Properties
  Accessible surface: 624.431  Positive charged surface: 276.448  Negative charged surface: 347.983  Volume: 341.625
  Hydrophobic surface: 446.142  Hydrophilic surface: 178.289
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 2  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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MMs02294488
NCID-ZINC01655953