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ANALYTICONDISCOVERY-ZINC04277904

 MMsINC code: MMs00035445
Type: Neutral
Formula: C23H40N6O5
SMILES:   O1CCN(CC1)C(=O)N1CCN(CC1C(=O)NC(CC1CCCCC1)C(=O)N)C(=O)NC(C)C
InChI:   InChI=1/C23H40N6O5/c1-16(2)25-22(32)28-8-9-29(23(33)27-10-12-34-13-11-27)19(15-28)21(31)26-18(20(24)30)14-17-6-4-3-5-7-17/h16-19H,3-15H2,1-2H3,(H2,24,30)(H,25,32)(H,26,31)/t18-,19+/m0/s1

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Potential Energy
Epot(MMFF94)=159.556 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 480.61 g/mol  logS: -3.84906  SlogP: 0.4833  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0722342  Sterimol/B1: 2.70016  Sterimol/B2: 3.42045  Sterimol/B3: 5.10794
  Sterimol/B4: 12.5449  Sterimol/L: 16.966 
 
 Surface and Volume Properties
  Accessible surface: 764.471  Positive charged surface: 610.492  Negative charged surface: 153.979  Volume: 460
  Hydrophobic surface: 564.791  Hydrophilic surface: 199.68
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.