MMsINC Database Search


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MMsINC code: MMs01290945

Type: Neutral
Formula: C₂₀H₁₆F₃O₄P

SMILES:

P(Oc1ccccc1)(Oc1ccccc1)(OC(C(F)(F)F)c1ccccc1)=O

InChI:

InChI=1/C20H16F3O4P/c21-20(22,23)19(16-10-4-1-5-11-16)27-28(24,25-17-12-6-2-7-13-17)26-18-14-8-3-9-15-18/h1-15,19H/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.2751 kcal/mol

Physical Properties
Molecular Weight: 408.312 g/mol	logS: -6.12099	SlogP: 6.0179	Reactive groups: 0

Topological Properties
Globularity: 0.194793	Sterimol/B1: 2.84943	Sterimol/B2: 3.46178	Sterimol/B3: 5.58463
Sterimol/B4: 8.91246	Sterimol/L: 14.2344

Surface and Volume Properties
Accessible surface: 597.057	Positive charged surface: 290.746	Negative charged surface: 306.311	Volume: 343.5
Hydrophobic surface: 493.117	Hydrophilic surface: 103.94

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.