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MMsINC code: MMs02698972

Type: Neutral
Formula: C₁₈H₁₉FN₂O₂

SMILES:

Fc1ccc(cc1)\C=N\NC(=O)COc1ccc(cc1)C(C)C

InChI:

InChI=1/C18H19FN2O2/c1-13(2)15-5-9-17(10-6-15)23-12-18(22)21-20-11-14-3-7-16(19)8-4-14/h3-11,13H,12H2,1-2H3,(H,21,22)/b20-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.3477 kcal/mol

Physical Properties
Molecular Weight: 314.36 g/mol	logS: -5.41431	SlogP: 3.4782	Reactive groups: 0

Topological Properties
Globularity: 0.0148848	Sterimol/B1: 2.37393	Sterimol/B2: 3.24491	Sterimol/B3: 4.87402
Sterimol/B4: 5.12211	Sterimol/L: 20.8906

Surface and Volume Properties
Accessible surface: 608.309	Positive charged surface: 364.577	Negative charged surface: 243.732	Volume: 308.875
Hydrophobic surface: 475.61	Hydrophilic surface: 132.699

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02698973
PUBCHEM-ZINC00516754