MMsINC Database Search


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MMsINC code: MMs01273056

Type: Neutral
Formula: C₂₀H₁₆FNO₂

SMILES:

Fc1ccc(cc1)CNC(=O)c1cc(Oc2ccccc2)ccc1

InChI:

InChI=1/C20H16FNO2/c21-17-11-9-15(10-12-17)14-22-20(23)16-5-4-8-19(13-16)24-18-6-2-1-3-7-18/h1-13H,14H2,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.8002 kcal/mol

Physical Properties
Molecular Weight: 321.351 g/mol	logS: -5.3766	SlogP: 4.8144	Reactive groups: 0

Topological Properties
Globularity: 0.0641467	Sterimol/B1: 2.27531	Sterimol/B2: 3.40062	Sterimol/B3: 4.36423
Sterimol/B4: 5.79896	Sterimol/L: 18.7912

Surface and Volume Properties
Accessible surface: 591.07	Positive charged surface: 314.277	Negative charged surface: 276.793	Volume: 310.375
Hydrophobic surface: 544.669	Hydrophilic surface: 46.401

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.