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CHEMDIV-ZINC02465971

 MMsINC code: MMs00878275
Type: Neutral
Formula: C18H14N2O3
SMILES:   o1nc(c2CCc3c(-c12)cccc3)C(=O)Nc1cc(O)ccc1
InChI:   InChI=1/C18H14N2O3/c21-13-6-3-5-12(10-13)19-18(22)16-15-9-8-11-4-1-2-7-14(11)17(15)23-20-16/h1-7,10,21H,8-9H2,(H,19,22)

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Potential Energy
Epot(MMFF94)=94.4469 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.321 g/mol  logS: -4.71972  SlogP: 3.39804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0160124  Sterimol/B1: 2.84462  Sterimol/B2: 3.13326  Sterimol/B3: 4.00419
  Sterimol/B4: 4.29566  Sterimol/L: 17.5309 
 
 Surface and Volume Properties
  Accessible surface: 533.384  Positive charged surface: 317.652  Negative charged surface: 215.732  Volume: 282.125
  Hydrophobic surface: 412.323  Hydrophilic surface: 121.061
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.