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MMsINC code: MMs03006675

Type: Neutral
Formula: C₁₇H₁₈N₂O₄

SMILES:

O(C)c1cc(ccc1OC)CC(=O)Nc1ccccc1C(=O)N

InChI:

InChI=1/C17H18N2O4/c1-22-14-8-7-11(9-15(14)23-2)10-16(20)19-13-6-4-3-5-12(13)17(18)21/h3-9H,10H2,1-2H3,(H2,18,21)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.005 kcal/mol

Physical Properties
Molecular Weight: 314.341 g/mol	logS: -3.76922	SlogP: 1.98387	Reactive groups: 0

Topological Properties
Globularity: 0.0874281	Sterimol/B1: 3.04077	Sterimol/B2: 3.82325	Sterimol/B3: 4.05059
Sterimol/B4: 6.71067	Sterimol/L: 16.3896

Surface and Volume Properties
Accessible surface: 566.791	Positive charged surface: 405.67	Negative charged surface: 161.12	Volume: 298.625
Hydrophobic surface: 429.641	Hydrophilic surface: 137.15

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.