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MMsINC code: MMs03882213

Type: Ionized
Formula: C₂₂H₁₆NO₅-

SMILES:

O(C(=O)c1ccccc1NC(=O)c1ccccc1)Cc1ccc(cc1)C(=O)[O-]

InChI:

InChI=1/C22H17NO5/c24-20(16-6-2-1-3-7-16)23-19-9-5-4-8-18(19)22(27)28-14-15-10-12-17(13-11-15)21(25)26/h1-13H,14H2,(H,23,24)(H,25,26)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.1592 kcal/mol

Physical Properties
Molecular Weight: 374.372 g/mol	logS: -5.73435	SlogP: 2.9258	Reactive groups: 0

Topological Properties
Globularity: 0.0405579	Sterimol/B1: 2.43473	Sterimol/B2: 3.63268	Sterimol/B3: 3.74774
Sterimol/B4: 9.67938	Sterimol/L: 19.3224

Surface and Volume Properties
Accessible surface: 644.79	Positive charged surface: 325.785	Negative charged surface: 319.005	Volume: 348.25
Hydrophobic surface: 494.227	Hydrophilic surface: 150.563

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:

MMs03882212
PUBCHEM-ZINC06864002