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ENAMINE-ZINC02639622

 MMsINC code: MMs01268214
Type: Neutral
Formula: C15H15BrN2O3
SMILES:   Brc1oc(cc1)C(=O)N(CC(=O)Nc1ccc(cc1)C)C
InChI:   InChI=1/C15H15BrN2O3/c1-10-3-5-11(6-4-10)17-14(19)9-18(2)15(20)12-7-8-13(16)21-12/h3-8H,9H2,1-2H3,(H,17,19)

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Potential Energy
Epot(MMFF94)=76.0439 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.2 g/mol  logS: -5.04859  SlogP: 3.06122  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.059209  Sterimol/B1: 2.56766  Sterimol/B2: 4.10449  Sterimol/B3: 4.28186
  Sterimol/B4: 6.00132  Sterimol/L: 17.0591 
 
 Surface and Volume Properties
  Accessible surface: 567.583  Positive charged surface: 300.967  Negative charged surface: 266.616  Volume: 288.5
  Hydrophobic surface: 492.885  Hydrophilic surface: 74.698
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.