MMsINC Database Search


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MMsINC code: MMs01393082

Type: Neutral
Formula: C₁₉H₂₁FN₂O₂

SMILES:

Fc1ccccc1C(=O)NCC(=O)Nc1ccc(cc1)CCCC

InChI:

InChI=1/C19H21FN2O2/c1-2-3-6-14-9-11-15(12-10-14)22-18(23)13-21-19(24)16-7-4-5-8-17(16)20/h4-5,7-12H,2-3,6,13H2,1H3,(H,21,24)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.9975 kcal/mol

Physical Properties
Molecular Weight: 328.387 g/mol	logS: -5.842	SlogP: 3.53677	Reactive groups: 0

Topological Properties
Globularity: 0.0211352	Sterimol/B1: 2.35424	Sterimol/B2: 3.89334	Sterimol/B3: 4.53276
Sterimol/B4: 5.30644	Sterimol/L: 21.3658

Surface and Volume Properties
Accessible surface: 631.463	Positive charged surface: 390.43	Negative charged surface: 241.033	Volume: 323.625
Hydrophobic surface: 517.587	Hydrophilic surface: 113.876

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.