MMsINC Database Search


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MMsINC code: MMs02900509

Type: Ionized
Formula: C₁₆H₁₄NO₄-

SMILES:

O(Cc1ccccc1)C(=O)NC(C(=O)[O-])c1ccccc1

InChI:

InChI=1/C16H15NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,20)(H,18,19)/p-1/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.7812 kcal/mol

Physical Properties
Molecular Weight: 284.291 g/mol	logS: -3.63202	SlogP: 1.7659	Reactive groups: 0

Topological Properties
Globularity: 0.0995641	Sterimol/B1: 3.62088	Sterimol/B2: 3.7177	Sterimol/B3: 4.29949
Sterimol/B4: 5.51521	Sterimol/L: 15.1966

Surface and Volume Properties
Accessible surface: 538.871	Positive charged surface: 284.437	Negative charged surface: 254.434	Volume: 269.625
Hydrophobic surface: 403.353	Hydrophilic surface: 135.518

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs02900508
PUBCHEM-ZINC02556688