MMsINC Database Search


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MMsINC code: MMs02327868

Type: Neutral
Formula: C₁₉H₁₉FN₂O₂

SMILES:

FC1(CCCC)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H19FN2O2/c1-2-3-14-19(20)17(23)21(15-10-6-4-7-11-15)22(18(19)24)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.881 kcal/mol

Physical Properties
Molecular Weight: 326.371 g/mol	logS: -5.51529	SlogP: 4.2998	Reactive groups: 0

Topological Properties
Globularity: 0.0819767	Sterimol/B1: 3.49535	Sterimol/B2: 4.02402	Sterimol/B3: 5.48682
Sterimol/B4: 5.54438	Sterimol/L: 15.4071

Surface and Volume Properties
Accessible surface: 564.479	Positive charged surface: 324.28	Negative charged surface: 240.199	Volume: 311
Hydrophobic surface: 459.563	Hydrophilic surface: 104.916

Pharmacophoric Properties
Hydrogen bond donors: 0	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.