MMsINC Database Search


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MMsINC code: MMs00269998

Type: Neutral
Formula: C₂₃H₁₈FN₃O₂

SMILES:

Fc1ccc(cc1)C(=O)N(CC1=Cc2c(NC1=O)cccc2)Cc1cccnc1

InChI:

InChI=1/C23H18FN3O2/c24-20-9-7-17(8-10-20)23(29)27(14-16-4-3-11-25-13-16)15-19-12-18-5-1-2-6-21(18)26-22(19)28/h1-13H,14-15H2,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.295 kcal/mol

Physical Properties
Molecular Weight: 387.414 g/mol	logS: -4.864	SlogP: 4.1652	Reactive groups: 0

Topological Properties
Globularity: 0.0939964	Sterimol/B1: 3.27986	Sterimol/B2: 4.06397	Sterimol/B3: 5.81621
Sterimol/B4: 7.61037	Sterimol/L: 15.1895

Surface and Volume Properties
Accessible surface: 607.458	Positive charged surface: 351.477	Negative charged surface: 255.981	Volume: 359.875
Hydrophobic surface: 509.69	Hydrophilic surface: 97.768

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.