MMsINC Database Search


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MMsINC code: MMs01246329

Type: Neutral
Formula: C₁₆H₁₄FNO₃

SMILES:

Fc1ccccc1NC(=O)COC(=O)c1ccc(cc1)C

InChI:

InChI=1/C16H14FNO3/c1-11-6-8-12(9-7-11)16(20)21-10-15(19)18-14-5-3-2-4-13(14)17/h2-9H,10H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.3464 kcal/mol

Physical Properties
Molecular Weight: 287.29 g/mol	logS: -4.53194	SlogP: 2.92962	Reactive groups: 0

Topological Properties
Globularity: 0.0124252	Sterimol/B1: 2.51429	Sterimol/B2: 2.91629	Sterimol/B3: 3.00373
Sterimol/B4: 5.76942	Sterimol/L: 17.7838

Surface and Volume Properties
Accessible surface: 539.302	Positive charged surface: 298.127	Negative charged surface: 241.175	Volume: 264.25
Hydrophobic surface: 455.728	Hydrophilic surface: 83.574

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.