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MMsINC code: MMs00521834

Type: Neutral
Formula: C₁₉H₁₈N₂O₅

SMILES:

O(C)c1cc(ccc1O)CC1C(=O)N(Cc2ccccc2)C(=O)NC1=O

InChI:

InChI=1/C19H18N2O5/c1-26-16-10-13(7-8-15(16)22)9-14-17(23)20-19(25)21(18(14)24)11-12-5-3-2-4-6-12/h2-8,10,14,22H,9,11H2,1H3,(H,20,23,25)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.7036 kcal/mol

Physical Properties
Molecular Weight: 354.362 g/mol	logS: -3.46398	SlogP: 2.10447	Reactive groups: 0

Topological Properties
Globularity: 0.114773	Sterimol/B1: 2.07182	Sterimol/B2: 3.18607	Sterimol/B3: 5.11046
Sterimol/B4: 6.85399	Sterimol/L: 15.6229

Surface and Volume Properties
Accessible surface: 582.516	Positive charged surface: 381.208	Negative charged surface: 201.307	Volume: 322.375
Hydrophobic surface: 408.099	Hydrophilic surface: 174.417

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.