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ACROSORGANICS-ZINC00154508

 MMsINC code: MMs00004914
Type: Neutral
Formula: C14H10ClNO3
SMILES:   Clc1ccc(cc1N)C(=O)c1ccccc1C(O)=O
InChI:   InChI=1/C14H10ClNO3/c15-11-6-5-8(7-12(11)16)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,16H2,(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.4074 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.691 g/mol  logS: -3.88226  SlogP: 2.8514  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159711  Sterimol/B1: 2.50363  Sterimol/B2: 4.23764  Sterimol/B3: 4.29923
  Sterimol/B4: 6.89178  Sterimol/L: 13.3086 
 
 Surface and Volume Properties
  Accessible surface: 460.397  Positive charged surface: 230.926  Negative charged surface: 229.471  Volume: 238.125
  Hydrophobic surface: 301.263  Hydrophilic surface: 159.134
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules


MMs00004915
ACROSORGANICS-ZINC00154508