MMsINC Database Search


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MMsINC code: MMs01247041

Type: Neutral
Formula: C₁₆H₁₄FNO₃

SMILES:

Fc1ccccc1C(OC(C(=O)Nc1ccccc1)C)=O

InChI:

InChI=1/C16H14FNO3/c1-11(15(19)18-12-7-3-2-4-8-12)21-16(20)13-9-5-6-10-14(13)17/h2-11H,1H3,(H,18,19)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.7084 kcal/mol

Physical Properties
Molecular Weight: 287.29 g/mol	logS: -4.38523	SlogP: 3.0097	Reactive groups: 0

Topological Properties
Globularity: 0.0519368	Sterimol/B1: 2.12415	Sterimol/B2: 2.35709	Sterimol/B3: 4.7432
Sterimol/B4: 6.52655	Sterimol/L: 16.4634

Surface and Volume Properties
Accessible surface: 531.784	Positive charged surface: 287.554	Negative charged surface: 244.231	Volume: 265.75
Hydrophobic surface: 445.331	Hydrophilic surface: 86.453

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

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.