MMsINC Database Search


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MMsINC code: MMs01255033

Type: Neutral
Formula: C₂₃H₁₇FN₂O₃

SMILES:

Fc1ccccc1C(=O)CN1C(=O)C(NC1=O)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H17FN2O3/c24-19-14-8-7-13-18(19)20(27)15-26-21(28)23(25-22(26)29,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15H2,(H,25,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.8669 kcal/mol

Physical Properties
Molecular Weight: 388.398 g/mol	logS: -5.96452	SlogP: 3.8155	Reactive groups: 0

Topological Properties
Globularity: 0.114498	Sterimol/B1: 2.50239	Sterimol/B2: 3.71193	Sterimol/B3: 5.06898
Sterimol/B4: 8.9127	Sterimol/L: 16.5389

Surface and Volume Properties
Accessible surface: 622.002	Positive charged surface: 312.522	Negative charged surface: 309.48	Volume: 356.25
Hydrophobic surface: 528.908	Hydrophilic surface: 93.094

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.