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SIAL-ZINC04761025

 MMsINC code: MMs03924782
Type: Neutral
Formula: C10H20N2O3
SMILES:   OC(=O)C(NC(=O)C(N)C(C)C)CCC
InChI:   InChI=1/C10H20N2O3/c1-4-5-7(10(14)15)12-9(13)8(11)6(2)3/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)/t7-,8+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.9264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.281 g/mol  logS: -1.22526  SlogP: 0.3392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.08466  Sterimol/B1: 2.43583  Sterimol/B2: 2.87984  Sterimol/B3: 3.0162
  Sterimol/B4: 7.49556  Sterimol/L: 11.9553 
 
 Surface and Volume Properties
  Accessible surface: 443.837  Positive charged surface: 308.818  Negative charged surface: 135.019  Volume: 218.875
  Hydrophobic surface: 222.19  Hydrophilic surface: 221.647
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.