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PUBCHEM-ZINC04548003

 MMsINC code: MMs03132081
Type: Neutral
Formula: C13H21N3O3
SMILES:   O=C1N(CC(=O)NC(CC)C)C(=O)NC12CCCC2
InChI:   InChI=1/C13H21N3O3/c1-3-9(2)14-10(17)8-16-11(18)13(15-12(16)19)6-4-5-7-13/h9H,3-8H2,1-2H3,(H,14,17)(H,15,19)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=13.0077 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.329 g/mol  logS: -2.01917  SlogP: 0.7657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0661546  Sterimol/B1: 3.00233  Sterimol/B2: 3.28294  Sterimol/B3: 4.07449
  Sterimol/B4: 5.48646  Sterimol/L: 15.1403 
 
 Surface and Volume Properties
  Accessible surface: 510.429  Positive charged surface: 357.353  Negative charged surface: 153.076  Volume: 260
  Hydrophobic surface: 343.938  Hydrophilic surface: 166.491
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.