MMsINC Database Search


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MMsINC code: MMs02671518

Type: Neutral
Formula: C₁₄H₁₂FNO₂

SMILES:

Fc1ccccc1C(=O)Nc1cc(ccc1O)C

InChI:

InChI=1/C14H12FNO2/c1-9-6-7-13(17)12(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)=69.8611 kcal/mol

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

Topological Properties
Globularity: 0.0248106	Sterimol/B1: 2.3045	Sterimol/B2: 2.52793	Sterimol/B3: 2.88504
Sterimol/B4: 6.67859	Sterimol/L: 14.2592

Surface and Volume Properties
Accessible surface: 456.078	Positive charged surface: 253.995	Negative charged surface: 202.083	Volume: 226.375
Hydrophobic surface: 379.727	Hydrophilic surface: 76.351

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.