MMsINC Database Search


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MMsINC code: MMs01227867

Type: Neutral
Formula: C₁₈H₁₄FNO₂

SMILES:

Fc1cc(ccc1)C(=O)Nc1c2c(cccc2)c(OC)cc1

InChI:

InChI=1/C18H14FNO2/c1-22-17-10-9-16(14-7-2-3-8-15(14)17)20-18(21)12-5-4-6-13(19)11-12/h2-11H,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.6534 kcal/mol

Physical Properties
Molecular Weight: 295.313 g/mol	logS: -5.57811	SlogP: 4.2398	Reactive groups: 0

Topological Properties
Globularity: 0.0171509	Sterimol/B1: 2.08616	Sterimol/B2: 2.46995	Sterimol/B3: 2.73802
Sterimol/B4: 8.01341	Sterimol/L: 16.0274

Surface and Volume Properties
Accessible surface: 521.323	Positive charged surface: 288.589	Negative charged surface: 221.643	Volume: 276
Hydrophobic surface: 484.051	Hydrophilic surface: 37.272

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.