MMsINC Database Search


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MMsINC code: MMs02329023

Type: Neutral
Formula: C₂₀H₁₇O₆P

SMILES:

P(Oc1ccccc1C(OC)=O)(Oc1ccccc1)(Oc1ccccc1)=O

InChI:

InChI=1/C20H17O6P/c1-23-20(21)18-14-8-9-15-19(18)26-27(22,24-16-10-4-2-5-11-16)25-17-12-6-3-7-13-17/h2-15H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.2992 kcal/mol

Physical Properties
Molecular Weight: 384.324 g/mol	logS: -5.35391	SlogP: 4.0479	Reactive groups: 0

Topological Properties
Globularity: 0.167855	Sterimol/B1: 2.74454	Sterimol/B2: 5.5775	Sterimol/B3: 6.23868
Sterimol/B4: 6.88098	Sterimol/L: 14.7618

Surface and Volume Properties
Accessible surface: 608.104	Positive charged surface: 384.552	Negative charged surface: 223.552	Volume: 347
Hydrophobic surface: 573.503	Hydrophilic surface: 34.601

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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: no related molecules available.