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NANOSIN-ZINC02539333

 MMsINC code: MMs02202276
Type: Neutral
Formula: C18H20N2O4
SMILES:   OC(C(O)C(=O)NCc1ccccc1)C(=O)NCc1ccccc1
InChI:   InChI=1/C18H20N2O4/c21-15(17(23)19-11-13-7-3-1-4-8-13)16(22)18(24)20-12-14-9-5-2-6-10-14/h1-10,15-16,21-22H,11-12H2,(H,19,23)(H,20,24)/t15-,16-/m0/s1

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Potential Energy
Epot(MMFF94)=65.7437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.368 g/mol  logS: -3.0664  SlogP: 0.8738  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0946848  Sterimol/B1: 2.38719  Sterimol/B2: 3.33333  Sterimol/B3: 4.58293
  Sterimol/B4: 7.7532  Sterimol/L: 15.578 
 
 Surface and Volume Properties
  Accessible surface: 617.927  Positive charged surface: 352.053  Negative charged surface: 265.875  Volume: 315.375
  Hydrophobic surface: 457.916  Hydrophilic surface: 160.011
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.