MMsINC Database Search


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MMsINC code: MMs03301032

Type: Neutral
Formula: C₁₆H₁₆F₃O₃P

SMILES:

P(Oc1ccccc1)(OC(Cc1ccccc1)C(F)(F)F)(=O)C

InChI:

InChI=1/C16H16F3O3P/c1-23(20,21-14-10-6-3-7-11-14)22-15(16(17,18)19)12-13-8-4-2-5-9-13/h2-11,15H,12H2,1H3/t15-,23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.9079 kcal/mol

Physical Properties
Molecular Weight: 344.269 g/mol	logS: -4.22582	SlogP: 4.42817	Reactive groups: 0

Topological Properties
Globularity: 0.145984	Sterimol/B1: 2.38313	Sterimol/B2: 2.86928	Sterimol/B3: 4.96409
Sterimol/B4: 7.19523	Sterimol/L: 14.6315

Surface and Volume Properties
Accessible surface: 521.476	Positive charged surface: 260.497	Negative charged surface: 260.979	Volume: 294.625
Hydrophobic surface: 399.78	Hydrophilic surface: 121.696

Pharmacophoric Properties
Hydrogen bond donors: 0	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.