MMsINC Database Search


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MMsINC code: MMs01523693

Type: Neutral
Formula: C₁₆H₁₅FN₂O₃

SMILES:

Fc1cc(OCC(=O)Nc2ccc(cc2)C(=O)NC)ccc1

InChI:

InChI=1/C16H15FN2O3/c1-18-16(21)11-5-7-13(8-6-11)19-15(20)10-22-14-4-2-3-12(17)9-14/h2-9H,10H2,1H3,(H,18,21)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.6206 kcal/mol

Physical Properties
Molecular Weight: 302.305 g/mol	logS: -3.8728	SlogP: 2.2028	Reactive groups: 0

Topological Properties
Globularity: 0.0104329	Sterimol/B1: 2.32766	Sterimol/B2: 2.96665	Sterimol/B3: 3.69148
Sterimol/B4: 4.15916	Sterimol/L: 19.759

Surface and Volume Properties
Accessible surface: 560.577	Positive charged surface: 337.259	Negative charged surface: 223.318	Volume: 277.375
Hydrophobic surface: 455.097	Hydrophilic surface: 105.48

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.