MMsINC Database Search


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MMsINC code: MMs02816549

Type: Neutral
Formula: C₅H₆NO₂P

SMILES:

[PH](O)(=O)c1cccnc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=4.45833 kcal/mol

Physical Properties
Molecular Weight: 143.082 g/mol	logS: -0.18869	SlogP: -0.8963	Reactive groups: 0

Topological Properties
Globularity: 0.0461842	Sterimol/B1: 2.32331	Sterimol/B2: 2.85077	Sterimol/B3: 2.87529
Sterimol/B4: 4.2901	Sterimol/L: 10.0409

Surface and Volume Properties
Accessible surface: 302.694	Positive charged surface: 163.536	Negative charged surface: 139.158	Volume: 122
Hydrophobic surface: 194.968	Hydrophilic surface: 107.726

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.