MMsINC Database Search


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MMsINC code: MMs01666716

Type: Neutral
Formula: C₁₅H₁₄FNO₂

SMILES:

Fc1ccc(cc1)CNC(=O)c1ccc(cc1O)C

InChI:

InChI=1/C15H14FNO2/c1-10-2-7-13(14(18)8-10)15(19)17-9-11-3-5-12(16)6-4-11/h2-8,18H,9H2,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.9913 kcal/mol

Physical Properties
Molecular Weight: 259.28 g/mol	logS: -3.70586	SlogP: 3.03612	Reactive groups: 0

Topological Properties
Globularity: 0.0585082	Sterimol/B1: 2.46331	Sterimol/B2: 3.65829	Sterimol/B3: 3.67264
Sterimol/B4: 6.00496	Sterimol/L: 15.4545

Surface and Volume Properties
Accessible surface: 497.991	Positive charged surface: 279.366	Negative charged surface: 218.625	Volume: 246.5
Hydrophobic surface: 414.681	Hydrophilic surface: 83.31

Pharmacophoric Properties
Hydrogen bond donors: 2	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.