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PUBCHEM-ZINC06908483

 MMsINC code: MMs03898756
Type: Neutral
Formula: C10H14N4O2
SMILES:   O=C1N(CCCn2ccnc2)C(=O)NC1C
InChI:   InChI=1/C10H14N4O2/c1-8-9(15)14(10(16)12-8)5-2-4-13-6-3-11-7-13/h3,6-8H,2,4-5H2,1H3,(H,12,16)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=-4.4975 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.248 g/mol  logS: -0.85604  SlogP: 0.4799  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0822453  Sterimol/B1: 3.16527  Sterimol/B2: 3.24907  Sterimol/B3: 3.62909
  Sterimol/B4: 4.72808  Sterimol/L: 14.3367 
 
 Surface and Volume Properties
  Accessible surface: 446.495  Positive charged surface: 323.19  Negative charged surface: 123.305  Volume: 210.125
  Hydrophobic surface: 279.516  Hydrophilic surface: 166.979
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.