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CHEMDIV-ZINC04104539

 MMsINC code: MMs00926820
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)=133.592 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: 0.17638  Sterimol/B1: 2.12213  Sterimol/B2: 3.62984  Sterimol/B3: 4.43903
  Sterimol/B4: 8.71399  Sterimol/L: 15.1639 
 
 Surface and Volume Properties
  Accessible surface: 546.074  Positive charged surface: 364.841  Negative charged surface: 181.233  Volume: 310.25
  Hydrophobic surface: 429.169  Hydrophilic surface: 116.905
 
 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.