MMsINC Database Search


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MMsINC code: MMs01237473

Type: Neutral
Formula: C₁₄H₁₂FNO₂

SMILES:

Fc1ccccc1C(=O)Nc1ccc(cc1O)C

InChI:

InChI=1/C14H12FNO2/c1-9-6-7-12(13(17)8-9)16-14(18)10-4-2-3-5-11(10)15/h2-8,17H,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.6823 kcal/mol

Physical Properties
Molecular Weight: 245.253 g/mol	logS: -3.76182	SlogP: 3.09202	Reactive groups: 0

Topological Properties
Globularity: 0.016817	Sterimol/B1: 2.49426	Sterimol/B2: 2.70415	Sterimol/B3: 3.56389
Sterimol/B4: 4.81077	Sterimol/L: 15.1661

Surface and Volume Properties
Accessible surface: 464.049	Positive charged surface: 258.085	Negative charged surface: 205.964	Volume: 227.875
Hydrophobic surface: 385.878	Hydrophilic surface: 78.171

Pharmacophoric Properties
Hydrogen bond donors: 2	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.