MMsINC Database Search


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MMsINC code: MMs00119390

Type: Neutral
Formula: C₁₅H₁₄FNO₂

SMILES:

Fc1ccc(NC(=O)C(OC)c2ccccc2)cc1

InChI:

InChI=1/C15H14FNO2/c1-19-14(11-5-3-2-4-6-11)15(18)17-13-9-7-12(16)8-10-13/h2-10,14H,1H3,(H,17,18)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.7906 kcal/mol

Physical Properties
Molecular Weight: 259.28 g/mol	logS: -3.79249	SlogP: 3.2474	Reactive groups: 0

Topological Properties
Globularity: 0.188596	Sterimol/B1: 2.19403	Sterimol/B2: 3.79182	Sterimol/B3: 3.96303
Sterimol/B4: 8.42117	Sterimol/L: 13.1102

Surface and Volume Properties
Accessible surface: 495.797	Positive charged surface: 292.188	Negative charged surface: 203.608	Volume: 247.875
Hydrophobic surface: 465.695	Hydrophilic surface: 30.102

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.