MMsINC Database Search


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MMsINC code: MMs03321877

Type: Neutral
Formula: C₁₅H₁₄FNO₂

SMILES:

Fc1ccccc1C(=O)NC(CO)c1ccccc1

InChI:

InChI=1/C15H14FNO2/c16-13-9-5-4-8-12(13)15(19)17-14(10-18)11-6-2-1-3-7-11/h1-9,14,18H,10H2,(H,17,19)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.1157 kcal/mol

Physical Properties
Molecular Weight: 259.28 g/mol	logS: -3.39135	SlogP: 2.3846	Reactive groups: 0

Topological Properties
Globularity: 0.104161	Sterimol/B1: 2.67132	Sterimol/B2: 2.90467	Sterimol/B3: 4.92275
Sterimol/B4: 5.72636	Sterimol/L: 14.0398

Surface and Volume Properties
Accessible surface: 486.078	Positive charged surface: 273.99	Negative charged surface: 212.088	Volume: 247.25
Hydrophobic surface: 414.646	Hydrophilic surface: 71.432

Pharmacophoric Properties
Hydrogen bond donors: 2	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.