MMsINC Database Search


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MMsINC code: MMs02685170

Type: Neutral
Formula: C₁₄H₁₂FNO₂

SMILES:

Fc1cc(ccc1)C(=O)Nc1ccccc1CO

InChI:

InChI=1/C14H12FNO2/c15-12-6-3-5-10(8-12)14(18)16-13-7-2-1-4-11(13)9-17/h1-8,17H,9H2,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.0705 kcal/mol

Physical Properties
Molecular Weight: 245.253 g/mol	logS: -3.42087	SlogP: 2.8367	Reactive groups: 0

Topological Properties
Globularity: 0.0239846	Sterimol/B1: 2.49664	Sterimol/B2: 2.58949	Sterimol/B3: 3.46712
Sterimol/B4: 6.16733	Sterimol/L: 14.0632

Surface and Volume Properties
Accessible surface: 455.124	Positive charged surface: 246.788	Negative charged surface: 208.335	Volume: 226.5
Hydrophobic surface: 371.561	Hydrophilic surface: 83.563

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.