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ASINEX-ZINC00340612

 MMsINC code: MMs00121009
Type: Neutral
Formula: C13H21NO3
SMILES:   OC(=O)C1CCCCC1C(=O)N1CCCCC1
InChI:   InChI=1/C13H21NO3/c15-12(14-8-4-1-5-9-14)10-6-2-3-7-11(10)13(16)17/h10-11H,1-9H2,(H,16,17)/t10-,11+/m0/s1

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Potential Energy
Epot(MMFF94)=30.9662 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.315 g/mol  logS: -1.50289  SlogP: 1.8899  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183618  Sterimol/B1: 3.35844  Sterimol/B2: 3.77311  Sterimol/B3: 4.44432
  Sterimol/B4: 5.37871  Sterimol/L: 11.8104 
 
 Surface and Volume Properties
  Accessible surface: 439.81  Positive charged surface: 340.554  Negative charged surface: 99.2563  Volume: 237.25
  Hydrophobic surface: 351.697  Hydrophilic surface: 88.113
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00121010
ASINEX-ZINC00340612