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CHEMBRIDGE-ZINC01829327

 MMsINC code: MMs00698875
Type: Neutral
Formula: C17H25NO3
SMILES:   O=C1C2(CCC(C)(C2(C)C)C1=O)C(=O)NC1CCCCC1
InChI:   InChI=1/C17H25NO3/c1-15(2)16(3)9-10-17(15,13(20)12(16)19)14(21)18-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,18,21)/t16-,17+/m0/s1

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Potential Energy
Epot(MMFF94)=71.1454 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.391 g/mol  logS: -3.41967  SlogP: 2.3998  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108299  Sterimol/B1: 1.969  Sterimol/B2: 3.83618  Sterimol/B3: 4.6678
  Sterimol/B4: 5.92086  Sterimol/L: 15.0588 
 
 Surface and Volume Properties
  Accessible surface: 510.924  Positive charged surface: 341.121  Negative charged surface: 169.803  Volume: 293.375
  Hydrophobic surface: 377.702  Hydrophilic surface: 133.222
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.