MMsINC Database Search


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MMsINC code: MMs01945750

Type: Neutral
Formula: C₁₆H₁₂FNO₃

SMILES:

Fc1cc2c(N(Cc3ccc(OC)cc3)C(=O)C2=O)cc1

InChI:

InChI=1/C16H12FNO3/c1-21-12-5-2-10(3-6-12)9-18-14-7-4-11(17)8-13(14)15(19)16(18)20/h2-8H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.2102 kcal/mol

Physical Properties
Molecular Weight: 285.274 g/mol	logS: -4.04799	SlogP: 2.8302	Reactive groups: 0

Topological Properties
Globularity: 0.117414	Sterimol/B1: 2.91809	Sterimol/B2: 3.14778	Sterimol/B3: 4.65214
Sterimol/B4: 6.57236	Sterimol/L: 13.6187

Surface and Volume Properties
Accessible surface: 486.644	Positive charged surface: 273.291	Negative charged surface: 213.353	Volume: 256.625
Hydrophobic surface: 379.526	Hydrophilic surface: 107.118

Pharmacophoric Properties
Hydrogen bond donors: 0	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.