MMsINC Database Search


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MMsINC code: MMs02215356

Type: Neutral
Formula: C₇H₉O₃P

SMILES:

[PH](O)(=O)C(O)c1ccccc1

InChI:

InChI=1/C7H9O3P/c8-7(11(9)10)6-4-2-1-3-5-6/h1-5,7-8,11H,(H,9,10)/t7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.4497 kcal/mol

Physical Properties
Molecular Weight: 172.12 g/mol	logS: -1.06906	SlogP: 0.1698	Reactive groups: 0

Topological Properties
Globularity: 0.123597	Sterimol/B1: 2.88156	Sterimol/B2: 3.53506	Sterimol/B3: 3.58145
Sterimol/B4: 3.67572	Sterimol/L: 11.1134

Surface and Volume Properties
Accessible surface: 344.556	Positive charged surface: 162.512	Negative charged surface: 182.044	Volume: 152.125
Hydrophobic surface: 213.517	Hydrophilic surface: 131.039

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

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Ions/Tautomers related molecules: no related molecules available.