MMsINC Database Search


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MMsINC code: MMs02704138

Type: Neutral
Formula: C₁₄H₁₁F₂NO

SMILES:

Fc1cc(NC(=O)Cc2ccccc2)ccc1F

InChI:

InChI=1/C14H11F2NO/c15-12-7-6-11(9-13(12)16)17-14(18)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.5601 kcal/mol

Physical Properties
Molecular Weight: 247.244 g/mol	logS: -4.0063	SlogP: 3.14597	Reactive groups: 0

Topological Properties
Globularity: 0.0840796	Sterimol/B1: 3.39745	Sterimol/B2: 3.41449	Sterimol/B3: 4.15332
Sterimol/B4: 4.6549	Sterimol/L: 14.3126

Surface and Volume Properties
Accessible surface: 460.834	Positive charged surface: 239.467	Negative charged surface: 221.367	Volume: 223.75
Hydrophobic surface: 422.457	Hydrophilic surface: 38.377

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.