MMsINC Database Search


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MMsINC code: MMs01121440

Type: Neutral
Formula: C₂₀H₁₉FN₂O₂

SMILES:

Fc1cc(NC(=O)N(Cc2occc2)CCc2ccccc2)ccc1

InChI:

InChI=1/C20H19FN2O2/c21-17-8-4-9-18(14-17)22-20(24)23(15-19-10-5-13-25-19)12-11-16-6-2-1-3-7-16/h1-10,13-14H,11-12,15H2,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.4835 kcal/mol

Physical Properties
Molecular Weight: 338.382 g/mol	logS: -4.96602	SlogP: 4.96187	Reactive groups: 0

Topological Properties
Globularity: 0.0893273	Sterimol/B1: 3.28632	Sterimol/B2: 3.49059	Sterimol/B3: 4.13149
Sterimol/B4: 8.24947	Sterimol/L: 16.2625

Surface and Volume Properties
Accessible surface: 606.076	Positive charged surface: 319.442	Negative charged surface: 286.634	Volume: 329.375
Hydrophobic surface: 570.685	Hydrophilic surface: 35.391

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.