MMsINC Database Search


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MMsINC code: MMs02755389

Type: Neutral
Formula: C₁₉H₁₉FN₂O₂

SMILES:

Fc1ccc(NC(=O)c2ccccc2NC(=O)C2CCCC2)cc1

InChI:

InChI=1/C19H19FN2O2/c20-14-9-11-15(12-10-14)21-19(24)16-7-3-4-8-17(16)22-18(23)13-5-1-2-6-13/h3-4,7-13H,1-2,5-6H2,(H,21,24)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.7005 kcal/mol

Physical Properties
Molecular Weight: 326.371 g/mol	logS: -5.19124	SlogP: 4.2067	Reactive groups: 0

Topological Properties
Globularity: 0.0416641	Sterimol/B1: 2.44714	Sterimol/B2: 2.93644	Sterimol/B3: 3.93491
Sterimol/B4: 9.63162	Sterimol/L: 16.066

Surface and Volume Properties
Accessible surface: 585.786	Positive charged surface: 356.533	Negative charged surface: 229.253	Volume: 309.375
Hydrophobic surface: 536.734	Hydrophilic surface: 49.052

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.