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NCID-ZINC01631641

MMsINC code: MMs02276516

Type: Ionized
Formula: C16H13N2O3-
SMILES:   O=C([O-])C(NC(=O)n1c2c(c3c1cccc3)cccc2)C
InChI:   InChI=1/C16H14N2O3/c1-10(15(19)20)17-16(21)18-13-8-4-2-6-11(13)12-7-3-5-9-14(12)18/h2-10H,1H3,(H,17,21)(H,19,20)/p-1/t10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=73.4529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.291 g/mol  logS: -4.2275  SlogP: 1.4906  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0366721  Sterimol/B1: 2.54453  Sterimol/B2: 3.58805  Sterimol/B3: 3.83701
  Sterimol/B4: 7.67359  Sterimol/L: 13.8683 
 
 Surface and Volume Properties
  Accessible surface: 491.113  Positive charged surface: 237.625  Negative charged surface: 242.846  Volume: 263.25
  Hydrophobic surface: 365.509  Hydrophilic surface: 125.604
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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MMs02276515
NCID-ZINC01631641