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NCID-ZINC01671631

 MMsINC code: MMs02307652
Type: Ionized
Formula: C18H10NO4-
SMILES:   O=C1c2c3c(N(C)C(=O)C=C3c3c1cccc3)c(cc2)C(=O)[O-]
InChI:   InChI=1/C18H11NO4/c1-19-14(20)8-13-9-4-2-3-5-10(9)17(21)11-6-7-12(18(22)23)16(19)15(11)13/h2-8H,1H3,(H,22,23)/p-1

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Potential Energy
Epot(MMFF94)=79.6569 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.281 g/mol  logS: -4.54385  SlogP: 0.81989  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0129174  Sterimol/B1: 2.93826  Sterimol/B2: 2.95244  Sterimol/B3: 3.59221
  Sterimol/B4: 6.95463  Sterimol/L: 13.9194 
 
 Surface and Volume Properties
  Accessible surface: 477.597  Positive charged surface: 234.803  Negative charged surface: 242.794  Volume: 271.5
  Hydrophobic surface: 326.085  Hydrophilic surface: 151.512
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs02307651
NCID-ZINC01671631