MMsINC Database Search


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MMsINC code: MMs02270351

Type: Neutral
Formula: C₅H₆NO₂P

SMILES:

[PH](O)(=O)c1ncccc1

InChI:

InChI=1/C5H6NO2P/c7-9(8)5-3-1-2-4-6-5/h1-4,9H,(H,7,8)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.1164 kcal/mol

Physical Properties
Molecular Weight: 143.082 g/mol	logS: -0.49995	SlogP: -0.8963	Reactive groups: 0

Topological Properties
Globularity: 0.0440461	Sterimol/B1: 2.31677	Sterimol/B2: 2.62888	Sterimol/B3: 2.89144
Sterimol/B4: 4.84829	Sterimol/L: 10.0328

Surface and Volume Properties
Accessible surface: 304.473	Positive charged surface: 153.822	Negative charged surface: 150.651	Volume: 122
Hydrophobic surface: 200.681	Hydrophilic surface: 103.792

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.