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IBS-ZINC04786013

 MMsINC code: MMs01893426
Type: Neutral
Formula: C25H23NO3
SMILES:   Oc1c2c(ccc1N(C)c1ccc(cc1)C(C)(C)C)C(=O)c1c(cccc1)C2=O
InChI:   InChI=1/C25H23NO3/c1-25(2,3)15-9-11-16(12-10-15)26(4)20-14-13-19-21(24(20)29)23(28)18-8-6-5-7-17(18)22(19)27/h5-14,29H,1-4H3

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Potential Energy
Epot(MMFF94)=145.967 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.463 g/mol  logS: -7.2939  SlogP: 5.233  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0925292  Sterimol/B1: 2.8021  Sterimol/B2: 3.32246  Sterimol/B3: 5.85605
  Sterimol/B4: 6.98041  Sterimol/L: 18.4266 
 
 Surface and Volume Properties
  Accessible surface: 638.967  Positive charged surface: 395.759  Negative charged surface: 243.207  Volume: 379.5
  Hydrophobic surface: 491.963  Hydrophilic surface: 147.004
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.