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ASINEX-ZINC04374711

 MMsINC code: MMs00328019
Type: Neutral
Formula: C13H22N2O3
SMILES:   O(C(=O)C1CCCN(C1)CC(=O)NC1CC1)CC
InChI:   InChI=1/C13H22N2O3/c1-2-18-13(17)10-4-3-7-15(8-10)9-12(16)14-11-5-6-11/h10-11H,2-9H2,1H3,(H,14,16)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=44.4215 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.33 g/mol  logS: -1.25762  SlogP: 0.5401  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0346587  Sterimol/B1: 2.57247  Sterimol/B2: 3.18495  Sterimol/B3: 3.58373
  Sterimol/B4: 4.92964  Sterimol/L: 17.8769 
 
 Surface and Volume Properties
  Accessible surface: 529.787  Positive charged surface: 404.391  Negative charged surface: 125.396  Volume: 261.125
  Hydrophobic surface: 387.607  Hydrophilic surface: 142.18
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1
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Ions/Tautomers related molecules


MMs00328020
ASINEX-ZINC04374711