MMsINC Database Search


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MMsINC code: MMs01688677

Type: Neutral
Formula: C₁₅H₁₁F₂NO₂

SMILES:

Fc1cc(cc(F)c1)C(=O)Nc1ccccc1C(=O)C

InChI:

InChI=1/C15H11F2NO2/c1-9(19)13-4-2-3-5-14(13)18-15(20)10-6-11(16)8-12(17)7-10/h2-8H,1H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.2935 kcal/mol

Physical Properties
Molecular Weight: 275.254 g/mol	logS: -4.2571	SlogP: 3.4197	Reactive groups: 0

Topological Properties
Globularity: 0.0340502	Sterimol/B1: 2.24157	Sterimol/B2: 2.30369	Sterimol/B3: 3.14294
Sterimol/B4: 7.6218	Sterimol/L: 13.9097

Surface and Volume Properties
Accessible surface: 469.685	Positive charged surface: 228.445	Negative charged surface: 241.239	Volume: 242.375
Hydrophobic surface: 410.106	Hydrophilic surface: 59.579

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

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Ions/Tautomers related molecules: no related molecules available.