MMsINC Database Search


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MMsINC code: MMs02092295

Type: Neutral
Formula: C₁₄H₁₁F₂NO

SMILES:

Fc1ccccc1C(=O)Nc1cc(C)c(F)cc1

InChI:

InChI=1/C14H11F2NO/c1-9-8-10(6-7-12(9)15)17-14(18)11-4-2-3-5-13(11)16/h2-8H,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.8607 kcal/mol

Physical Properties
Molecular Weight: 247.244 g/mol	logS: -4.1053	SlogP: 3.52552	Reactive groups: 0

Topological Properties
Globularity: 0.0206626	Sterimol/B1: 2.12637	Sterimol/B2: 2.51755	Sterimol/B3: 3.07985
Sterimol/B4: 5.79191	Sterimol/L: 14.5422

Surface and Volume Properties
Accessible surface: 450.844	Positive charged surface: 233.042	Negative charged surface: 217.802	Volume: 223.125
Hydrophobic surface: 416.714	Hydrophilic surface: 34.13

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.