MMsINC Database Search


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MMsINC code: MMs01445593

Type: Neutral
Formula: C₁₆H₁₀F₅NO₃

SMILES:

Fc1cccc(F)c1NC(=O)COC(=O)c1ccccc1C(F)(F)F

InChI:

InChI=1/C16H10F5NO3/c17-11-6-3-7-12(18)14(11)22-13(23)8-25-15(24)9-4-1-2-5-10(9)16(19,20)21/h1-7H,8H2,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.24 kcal/mol

Physical Properties
Molecular Weight: 359.25 g/mol	logS: -5.40955	SlogP: 4.0906	Reactive groups: 0

Topological Properties
Globularity: 0.0450812	Sterimol/B1: 2.55402	Sterimol/B2: 3.81253	Sterimol/B3: 3.91627
Sterimol/B4: 6.29147	Sterimol/L: 16.9095

Surface and Volume Properties
Accessible surface: 547.3	Positive charged surface: 241.464	Negative charged surface: 305.836	Volume: 277.875
Hydrophobic surface: 389.93	Hydrophilic surface: 157.37

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.