MMsINC Database Search


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MMsINC code: MMs01246206

Type: Neutral
Formula: C₂₁H₁₆FNO₃

SMILES:

Fc1ccccc1NC(=O)COC(=O)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C21H16FNO3/c22-18-8-4-5-9-19(18)23-20(24)14-26-21(25)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13H,14H2,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.447 kcal/mol

Physical Properties
Molecular Weight: 349.361 g/mol	logS: -6.4844	SlogP: 4.2882	Reactive groups: 0

Topological Properties
Globularity: 0.00683539	Sterimol/B1: 2.6287	Sterimol/B2: 2.87071	Sterimol/B3: 3.38857
Sterimol/B4: 6.27871	Sterimol/L: 20.6352

Surface and Volume Properties
Accessible surface: 623.659	Positive charged surface: 310.57	Negative charged surface: 302.018	Volume: 328
Hydrophobic surface: 543.714	Hydrophilic surface: 79.945

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.