MMsINC Database Search


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MMsINC code: MMs01126561

Type: Neutral
Formula: C₂₀H₁₈F₂N₂O₂

SMILES:

Fc1ccccc1NC(=O)N(Cc1ccc(F)cc1)Cc1oc(cc1)C

InChI:

InChI=1/C20H18F2N2O2/c1-14-6-11-17(26-14)13-24(12-15-7-9-16(21)10-8-15)20(25)23-19-5-3-2-4-18(19)22/h2-11H,12-13H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.1096 kcal/mol

Physical Properties
Molecular Weight: 356.372 g/mol	logS: -5.51292	SlogP: 5.63332	Reactive groups: 0

Topological Properties
Globularity: 0.141144	Sterimol/B1: 2.09611	Sterimol/B2: 3.11585	Sterimol/B3: 4.77218
Sterimol/B4: 12.0784	Sterimol/L: 14.4105

Surface and Volume Properties
Accessible surface: 613.75	Positive charged surface: 324.068	Negative charged surface: 289.682	Volume: 332.5
Hydrophobic surface: 576.855	Hydrophilic surface: 36.895

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.