MMsINC Database Search


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MMsINC code: MMs02646317

Type: Neutral
Formula: C₁₉H₁₅FN₂O₂

SMILES:

Fc1ccccc1NC(=O)CNC(=O)c1cc2c(cc1)cccc2

InChI:

InChI=1/C19H15FN2O2/c20-16-7-3-4-8-17(16)22-18(23)12-21-19(24)15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H,21,24)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.2963 kcal/mol

Physical Properties
Molecular Weight: 322.339 g/mol	logS: -5.7003	SlogP: 3.3474	Reactive groups: 0

Topological Properties
Globularity: 0.00841491	Sterimol/B1: 2.57002	Sterimol/B2: 2.87618	Sterimol/B3: 3.20675
Sterimol/B4: 5.43629	Sterimol/L: 19.0908

Surface and Volume Properties
Accessible surface: 575.239	Positive charged surface: 299.495	Negative charged surface: 264.673	Volume: 298.75
Hydrophobic surface: 486.143	Hydrophilic surface: 89.096

Pharmacophoric Properties
Hydrogen bond donors: 2	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.