MMsINC Database Search


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MMsINC code: MMs00568299

Type: Neutral
Formula: C₁₅H₁₄FNO₂

SMILES:

Fc1ccccc1CNCc1ccc(cc1)C(O)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.8819 kcal/mol

Physical Properties
Molecular Weight: 259.28 g/mol	logS: -3.15766	SlogP: 3.3465	Reactive groups: 0

Topological Properties
Globularity: 0.101515	Sterimol/B1: 2.25056	Sterimol/B2: 3.39485	Sterimol/B3: 4.66335
Sterimol/B4: 5.23037	Sterimol/L: 15.5987

Surface and Volume Properties
Accessible surface: 505.665	Positive charged surface: 282.569	Negative charged surface: 223.096	Volume: 248.5
Hydrophobic surface: 385.375	Hydrophilic surface: 120.29

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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.