MMsINC Database Search


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MMsINC code: MMs02222928

Type: Neutral
Formula: C₇H₁₀N₃O₃P

SMILES:

P(O)(O)(=O)NC(Nc1ccccc1)=N

InChI:

InChI=1/C7H10N3O3P/c8-7(10-14(11,12)13)9-6-4-2-1-3-5-6/h1-5H,(H5,8,9,10,11,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-75.1576 kcal/mol

Physical Properties
Molecular Weight: 215.149 g/mol	logS: -1.07135	SlogP: -0.35463	Reactive groups: 0

Topological Properties
Globularity: 0.0597514	Sterimol/B1: 2.76728	Sterimol/B2: 3.16243	Sterimol/B3: 3.31554
Sterimol/B4: 4.45459	Sterimol/L: 12.9321

Surface and Volume Properties
Accessible surface: 391.692	Positive charged surface: 214.624	Negative charged surface: 177.069	Volume: 177.625
Hydrophobic surface: 183.393	Hydrophilic surface: 208.299

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.