MMsINC Database Search


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MMsINC code: MMs02182409

Type: Neutral
Formula: C₈H₉O₅P

SMILES:

P(Oc1ccc(cc1)C(O)=O)(O)(=O)C

InChI:

InChI=1/C8H9O5P/c1-14(11,12)13-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)(H,11,12)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=16.1467 kcal/mol

Physical Properties
Molecular Weight: 216.129 g/mol	logS: -0.93768	SlogP: 0.5086	Reactive groups: 0

Topological Properties
Globularity: 0.0532984	Sterimol/B1: 2.61188	Sterimol/B2: 3.29594	Sterimol/B3: 3.31745
Sterimol/B4: 4.07696	Sterimol/L: 13.2396

Surface and Volume Properties
Accessible surface: 393.683	Positive charged surface: 219.55	Negative charged surface: 174.133	Volume: 177.875
Hydrophobic surface: 193.41	Hydrophilic surface: 200.273

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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

MMs02182410
MDPI-ZINC03849350