MMsINC Database Search


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MMsINC code: MMs02011315

Type: Neutral
Formula: C₁₈H₁₅FN₂O₂

SMILES:

Fc1ccc(NC(=O)C(=O)c2c3c(n(C)c2C)cccc3)cc1

InChI:

InChI=1/C18H15FN2O2/c1-11-16(14-5-3-4-6-15(14)21(11)2)17(22)18(23)20-13-9-7-12(19)8-10-13/h3-10H,1-2H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.9166 kcal/mol

Physical Properties
Molecular Weight: 310.328 g/mol	logS: -4.4785	SlogP: 3.80642	Reactive groups: 0

Topological Properties
Globularity: 0.0851929	Sterimol/B1: 2.11089	Sterimol/B2: 3.62418	Sterimol/B3: 4.56687
Sterimol/B4: 8.44984	Sterimol/L: 15.227

Surface and Volume Properties
Accessible surface: 541.068	Positive charged surface: 293.822	Negative charged surface: 243.922	Volume: 290.5
Hydrophobic surface: 469.504	Hydrophilic surface: 71.564

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.