MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00572104

Type: Neutral
Formula: C₆H₈NO₃P

SMILES:

[PH](O)(=O)C(O)c1cccnc1

InChI:

InChI=1/C6H8NO3P/c8-6(11(9)10)5-2-1-3-7-4-5/h1-4,6,8,11H,(H,9,10)/t6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.3167 kcal/mol

Physical Properties
Molecular Weight: 173.108 g/mol	logS: 0.18908	SlogP: -0.4352	Reactive groups: 0

Topological Properties
Globularity: 0.127076	Sterimol/B1: 2.45482	Sterimol/B2: 3.07353	Sterimol/B3: 3.13496
Sterimol/B4: 4.62533	Sterimol/L: 10.9987

Surface and Volume Properties
Accessible surface: 334.215	Positive charged surface: 188.16	Negative charged surface: 146.055	Volume: 146.375
Hydrophobic surface: 187.628	Hydrophilic surface: 146.587

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.