MMsINC Database Search


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MMsINC code: MMs01628787

Type: Neutral
Formula: C₁₄H₁₀F₃NO

SMILES:

Fc1cc(F)ccc1C(=O)NCc1ccccc1F

InChI:

InChI=1/C14H10F3NO/c15-10-5-6-11(13(17)7-10)14(19)18-8-9-3-1-2-4-12(9)16/h1-7H,8H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.0143 kcal/mol

Physical Properties
Molecular Weight: 265.234 g/mol	logS: -4.18385	SlogP: 3.3003	Reactive groups: 0

Topological Properties
Globularity: 0.0728118	Sterimol/B1: 2.41868	Sterimol/B2: 4.02745	Sterimol/B3: 4.47123
Sterimol/B4: 5.05066	Sterimol/L: 14.3457

Surface and Volume Properties
Accessible surface: 464.443	Positive charged surface: 219.947	Negative charged surface: 244.496	Volume: 226.125
Hydrophobic surface: 421.247	Hydrophilic surface: 43.196

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.