MMsINC Database Search


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MMsINC code: MMs00683370

Type: Neutral
Formula: C₁₄H₁₁FINO

SMILES:

Ic1cc(C)c(NC(=O)c2ccc(F)cc2)cc1

InChI:

InChI=1/C14H11FINO/c1-9-8-12(16)6-7-13(9)17-14(18)10-2-4-11(15)5-3-10/h2-8H,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.4598 kcal/mol

Physical Properties
Molecular Weight: 355.15 g/mol	logS: -4.80184	SlogP: 3.99102	Reactive groups: 0

Topological Properties
Globularity: 0.0173496	Sterimol/B1: 2.015	Sterimol/B2: 2.13087	Sterimol/B3: 2.85984
Sterimol/B4: 6.56944	Sterimol/L: 16.2843

Surface and Volume Properties
Accessible surface: 488.309	Positive charged surface: 200.582	Negative charged surface: 287.727	Volume: 250.875
Hydrophobic surface: 459.038	Hydrophilic surface: 29.271

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.