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IBS-ZINC05345167

 MMsINC code: MMs01941018
Type: Neutral
Formula: C24H23N3O4
SMILES:   O1CCn2c(c3N(C)C(=O)N(C)C(=O)c3c2-c2ccc(cc2)C)C1c1ccc(O)cc1
InChI:   InChI=1/C24H23N3O4/c1-14-4-6-15(7-5-14)19-18-20(25(2)24(30)26(3)23(18)29)21-22(31-13-12-27(19)21)16-8-10-17(28)11-9-16/h4-11,22,28H,12-13H2,1-3H3/t22-/m0/s1

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Potential Energy
Epot(MMFF94)=100.172 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.465 g/mol  logS: -4.75616  SlogP: 4.29242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0990789  Sterimol/B1: 3.86478  Sterimol/B2: 4.60497  Sterimol/B3: 5.3857
  Sterimol/B4: 7.27804  Sterimol/L: 17.1523 
 
 Surface and Volume Properties
  Accessible surface: 645.636  Positive charged surface: 445.978  Negative charged surface: 199.658  Volume: 386.875
  Hydrophobic surface: 518.214  Hydrophilic surface: 127.422
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.