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ASINEX-ZINC00903431

 MMsINC code: MMs00213684
Type: Neutral
Formula: C24H29FN6O3
SMILES:   Fc1ccc(cc1)CN(C(CC)C(=O)NC1CCCC1)C(=O)Cn1nc(nn1)-c1oc(cc1)C
InChI:   InChI=1/C24H29FN6O3/c1-3-20(24(33)26-19-6-4-5-7-19)30(14-17-9-11-18(25)12-10-17)22(32)15-31-28-23(27-29-31)21-13-8-16(2)34-21/h8-13,19-20H,3-7,14-15H2,1-2H3,(H,26,33)/t20-/m1/s1

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Potential Energy
Epot(MMFF94)=124.063 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 468.533 g/mol  logS: -5.5829  SlogP: 3.77962  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0739765  Sterimol/B1: 2.33816  Sterimol/B2: 6.19883  Sterimol/B3: 6.22465
  Sterimol/B4: 6.41836  Sterimol/L: 20.7404 
 
 Surface and Volume Properties
  Accessible surface: 757.789  Positive charged surface: 443.14  Negative charged surface: 314.648  Volume: 437.375
  Hydrophobic surface: 607.129  Hydrophilic surface: 150.66
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 0
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Ions/Tautomers related molecules: no related molecules available.