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CHEMDIV-ZINC00248473

 MMsINC code: MMs00846026
Type: Neutral
Formula: C15H27NO3
SMILES:   OC(=O)C(NC(=O)C1CCC(CC1)CCC)C(C)C
InChI:   InChI=1/C15H27NO3/c1-4-5-11-6-8-12(9-7-11)14(17)16-13(10(2)3)15(18)19/h10-13H,4-9H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.9632 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.385 g/mol  logS: -3.88988  SlogP: 2.8183  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126415  Sterimol/B1: 2.12958  Sterimol/B2: 3.27394  Sterimol/B3: 4.1134
  Sterimol/B4: 7.18247  Sterimol/L: 13.9251 
 
 Surface and Volume Properties
  Accessible surface: 522.411  Positive charged surface: 382.415  Negative charged surface: 139.996  Volume: 282.25
  Hydrophobic surface: 373.734  Hydrophilic surface: 148.677
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00846027
CHEMDIV-ZINC00248473