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PUBCHEM-ZINC06452792

 MMsINC code: MMs03741456
Type: Neutral
Formula: C15H22N4O5
SMILES:   O=C1NC(=O)NC=C1C(=O)NC(C(=O)NCC1CCCCC1)CO
InChI:   InChI=1/C15H22N4O5/c20-8-11(14(23)16-6-9-4-2-1-3-5-9)18-12(21)10-7-17-15(24)19-13(10)22/h7,9,11,20H,1-6,8H2,(H,16,23)(H,18,21)(H2,17,19,22,24)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=12.0011 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.364 g/mol  logS: -2.73961  SlogP: -1.1167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0592824  Sterimol/B1: 2.46239  Sterimol/B2: 2.90718  Sterimol/B3: 4.82485
  Sterimol/B4: 5.7987  Sterimol/L: 18.8677 
 
 Surface and Volume Properties
  Accessible surface: 589.104  Positive charged surface: 412.626  Negative charged surface: 176.477  Volume: 304.875
  Hydrophobic surface: 330.577  Hydrophilic surface: 258.527
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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.