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ENAMINE-ZINC03299644

 MMsINC code: MMs01357817
Type: Neutral
Formula: C24H29N3O
SMILES:   O(Cc1ccc(cc1)-c1n2CCCCCc2nn1)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C24H29N3O/c1-24(2,3)20-12-14-21(15-13-20)28-17-18-8-10-19(11-9-18)23-26-25-22-7-5-4-6-16-27(22)23/h8-15H,4-7,16-17H2,1-3H3

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Potential Energy
Epot(MMFF94)=115.743 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.516 g/mol  logS: -7.02191  SlogP: 6.08077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0315898  Sterimol/B1: 2.3947  Sterimol/B2: 4.46799  Sterimol/B3: 4.5037
  Sterimol/B4: 4.84649  Sterimol/L: 21.2005 
 
 Surface and Volume Properties
  Accessible surface: 685.343  Positive charged surface: 445.255  Negative charged surface: 240.088  Volume: 388.875
  Hydrophobic surface: 580.824  Hydrophilic surface: 104.519
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.