MMsINC Database Search


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MMsINC code: MMs02333941

Type: Neutral
Formula: C₁₆H₁₂FNO₃

SMILES:

Fc1ccc(cc1)C1OC(C(=O)c2ccccc2)C(=O)N1

InChI:

InChI=1/C16H12FNO3/c17-12-8-6-11(7-9-12)16-18-15(20)14(21-16)13(19)10-4-2-1-3-5-10/h1-9,14,16H,(H,18,20)/t14-,16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.5892 kcal/mol

Physical Properties
Molecular Weight: 285.274 g/mol	logS: -4.09745	SlogP: 2.3177	Reactive groups: 0

Topological Properties
Globularity: 0.0721131	Sterimol/B1: 2.85597	Sterimol/B2: 3.13357	Sterimol/B3: 4.15495
Sterimol/B4: 5.40422	Sterimol/L: 14.8449

Surface and Volume Properties
Accessible surface: 488.171	Positive charged surface: 242.027	Negative charged surface: 246.144	Volume: 255.5
Hydrophobic surface: 374.897	Hydrophilic surface: 113.274

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.