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CHEMDIV-ZINC00478054

 MMsINC code: MMs00853859
Type: Neutral
Formula: C14H23NO3
SMILES:   OC(=O)C1CCCCC1C(=O)N1CCC(CC1)C
InChI:   InChI=1/C14H23NO3/c1-10-6-8-15(9-7-10)13(16)11-4-2-3-5-12(11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)/t11-,12+/m0/s1

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Potential Energy
Epot(MMFF94)=35.5269 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.342 g/mol  logS: -2.01811  SlogP: 2.1359  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145145  Sterimol/B1: 2.90715  Sterimol/B2: 4.20062  Sterimol/B3: 4.75934
  Sterimol/B4: 5.10556  Sterimol/L: 12.9517 
 
 Surface and Volume Properties
  Accessible surface: 462.22  Positive charged surface: 355.388  Negative charged surface: 106.832  Volume: 252.375
  Hydrophobic surface: 352.697  Hydrophilic surface: 109.523
 
 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


MMs00853860
CHEMDIV-ZINC00478054