MMsINC Database Search


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MMsINC code: MMs01912120

Type: Neutral
Formula: C₂₀H₁₁F₄NO₂

SMILES:

Fc1c(Oc2ccccc2\C=C\C(=O)c2ccccc2)c(F)c(F)nc1F

InChI:

InChI=1/C20H11F4NO2/c21-16-18(17(22)20(24)25-19(16)23)27-15-9-5-4-8-13(15)10-11-14(26)12-6-2-1-3-7-12/h1-11H/b11-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.187 kcal/mol

Physical Properties
Molecular Weight: 373.305 g/mol	logS: -6.29052	SlogP: 5.3264	Reactive groups: 1

Topological Properties
Globularity: 0.0381979	Sterimol/B1: 3.8731	Sterimol/B2: 3.88103	Sterimol/B3: 4.12763
Sterimol/B4: 5.83035	Sterimol/L: 17.6618

Surface and Volume Properties
Accessible surface: 597.441	Positive charged surface: 240.001	Negative charged surface: 357.439	Volume: 313.375
Hydrophobic surface: 510.96	Hydrophilic surface: 86.481

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.