MMsINC Database Search


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MMsINC code: MMs01380396

Type: Neutral
Formula: C₁₅H₁₁F₄NO₂

SMILES:

Fc1c(NC(=O)Cc2ccccc2OC)c(F)c(F)cc1F

InChI:

InChI=1/C15H11F4NO2/c1-22-11-5-3-2-4-8(11)6-12(21)20-15-13(18)9(16)7-10(17)14(15)19/h2-5,7H,6H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.8525 kcal/mol

Physical Properties
Molecular Weight: 313.25 g/mol	logS: -4.64664	SlogP: 3.43277	Reactive groups: 0

Topological Properties
Globularity: 0.0938266	Sterimol/B1: 2.36776	Sterimol/B2: 3.40558	Sterimol/B3: 3.51778
Sterimol/B4: 7.23943	Sterimol/L: 13.9823

Surface and Volume Properties
Accessible surface: 508.884	Positive charged surface: 281.181	Negative charged surface: 227.704	Volume: 255.5
Hydrophobic surface: 469.701	Hydrophilic surface: 39.183

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.