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ASINEX-ZINC04908509

 MMsINC code: MMs00402515
Type: Neutral
Formula: C18H31N3O3
SMILES:   O1CCN(CC1)C(=O)CN1CCC(NC(=O)C2CCCCC2)CC1
InChI:   InChI=1/C18H31N3O3/c22-17(21-10-12-24-13-11-21)14-20-8-6-16(7-9-20)19-18(23)15-4-2-1-3-5-15/h15-16H,1-14H2,(H,19,23)

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Potential Energy
Epot(MMFF94)=64.1976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.464 g/mol  logS: -2.42596  SlogP: 1.0061  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0343055  Sterimol/B1: 3.40122  Sterimol/B2: 3.43209  Sterimol/B3: 3.81583
  Sterimol/B4: 4.11518  Sterimol/L: 19.9126 
 
 Surface and Volume Properties
  Accessible surface: 624.565  Positive charged surface: 526.103  Negative charged surface: 98.4619  Volume: 340.5
  Hydrophobic surface: 554.972  Hydrophilic surface: 69.593
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00402516
ASINEX-ZINC04908509