MMsINC Database Search


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MMsINC code: MMs00056304

Type: Neutral
Formula: C₁₄H₁₃FN₂O₂

SMILES:

Fc1ccccc1COc1ccc(cc1)/C(=N\O)/N

InChI:

InChI=1/C14H13FN2O2/c15-13-4-2-1-3-11(13)9-19-12-7-5-10(6-8-12)14(16)17-18/h1-8,18H,9H2,(H2,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.3513 kcal/mol

Physical Properties
Molecular Weight: 260.268 g/mol	logS: -3.56548	SlogP: 2.7656	Reactive groups: 0

Topological Properties
Globularity: 0.00286122	Sterimol/B1: 2.37298	Sterimol/B2: 2.37712	Sterimol/B3: 2.56892
Sterimol/B4: 5.46047	Sterimol/L: 17.0228

Surface and Volume Properties
Accessible surface: 490.054	Positive charged surface: 268.995	Negative charged surface: 221.059	Volume: 241.5
Hydrophobic surface: 352.32	Hydrophilic surface: 137.734

Pharmacophoric Properties
Hydrogen bond donors: 2	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.