MMsINC Database Search


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MMsINC code: MMs03801959

Type: Neutral
Formula: C₉H₉O₆P

SMILES:

P(O\C=C(\C(O)=O)/c1ccccc1)(O)(O)=O

InChI:

InChI=1/C9H9O6P/c10-9(11)8(6-15-16(12,13)14)7-4-2-1-3-5-7/h1-6H,(H,10,11)(H2,12,13,14)/b8-6-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-20.7871 kcal/mol

Physical Properties
Molecular Weight: 244.139 g/mol	logS: -1.0997	SlogP: 0.1512	Reactive groups: 0

Topological Properties
Globularity: 0.116936	Sterimol/B1: 2.74677	Sterimol/B2: 3.27184	Sterimol/B3: 3.4684
Sterimol/B4: 6.01849	Sterimol/L: 13.4296

Surface and Volume Properties
Accessible surface: 436.45	Positive charged surface: 221.129	Negative charged surface: 215.321	Volume: 196.125
Hydrophobic surface: 200.435	Hydrophilic surface: 236.015

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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

MMs03801960
PUBCHEM-ZINC06568012