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MMsINC code: MMs02865534

Type: Ionized
Formula: C₁₈H₁₇N₂O₅-

SMILES:

O(Cc1ccc(cc1)C(=O)[O-])C(=O)Nc1ccccc1C(=O)N(C)C

InChI:

InChI=1/C18H18N2O5/c1-20(2)16(21)14-5-3-4-6-15(14)19-18(24)25-11-12-7-9-13(10-8-12)17(22)23/h3-10H,11H2,1-2H3,(H,19,24)(H,22,23)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.5291 kcal/mol

Physical Properties
Molecular Weight: 341.343 g/mol	logS: -3.70168	SlogP: 1.767	Reactive groups: 0

Topological Properties
Globularity: 0.0553521	Sterimol/B1: 2.03464	Sterimol/B2: 2.99168	Sterimol/B3: 4.1757
Sterimol/B4: 8.84723	Sterimol/L: 17.1239

Surface and Volume Properties
Accessible surface: 609.429	Positive charged surface: 367.958	Negative charged surface: 241.471	Volume: 317.25
Hydrophobic surface: 442.676	Hydrophilic surface: 166.753

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 2	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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Parent related molecule:

MMs02865533
PUBCHEM-ZINC02047722