MMsINC Database Search


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MMsINC code: MMs02035681

Type: Neutral
Formula: C₂₄H₁₈FNO₃

SMILES:

Fc1ccccc1C(Oc1ccc(cc1)\C=C\C(=O)N1CCc2c1cccc2)=O

InChI:

InChI=1/C24H18FNO3/c25-21-7-3-2-6-20(21)24(28)29-19-12-9-17(10-13-19)11-14-23(27)26-16-15-18-5-1-4-8-22(18)26/h1-14H,15-16H2/b14-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.894 kcal/mol

Physical Properties
Molecular Weight: 387.41 g/mol	logS: -6.34761	SlogP: 4.64737	Reactive groups: 0

Topological Properties
Globularity: 0.0228003	Sterimol/B1: 3.5564	Sterimol/B2: 3.76051	Sterimol/B3: 4.41467
Sterimol/B4: 4.63024	Sterimol/L: 22.685

Surface and Volume Properties
Accessible surface: 664.347	Positive charged surface: 365.265	Negative charged surface: 299.083	Volume: 365.375
Hydrophobic surface: 607.058	Hydrophilic surface: 57.289

Pharmacophoric Properties
Hydrogen bond donors: 0	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.