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CHEMDIV-ZINC04104540

 MMsINC code: MMs00926821
Type: Neutral
Formula: C19H18N2O3
SMILES:   O(C(=O)C1=NNC(C(=O)c2ccccc2)C1c1ccc(cc1)C)C
InChI:   InChI=1/C19H18N2O3/c1-12-8-10-13(11-9-12)15-16(20-21-17(15)19(23)24-2)18(22)14-6-4-3-5-7-14/h3-11,15-16,20H,1-2H3/t15-,16+/m1/s1

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Potential Energy
Epot(MMFF94)=117.672 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.364 g/mol  logS: -4.54806  SlogP: 2.46232  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154766  Sterimol/B1: 2.02487  Sterimol/B2: 3.85301  Sterimol/B3: 3.87658
  Sterimol/B4: 9.64376  Sterimol/L: 14.694 
 
 Surface and Volume Properties
  Accessible surface: 568.331  Positive charged surface: 353.834  Negative charged surface: 214.497  Volume: 312.125
  Hydrophobic surface: 444.955  Hydrophilic surface: 123.376
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.