MMsINC Database Search


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MMsINC code: MMs02331057

Type: Ionized
Formula: C₁₆H₁₄NO₄-

SMILES:

O(Cc1ccccc1)C(=O)N(C)c1ccc(cc1)C(=O)[O-]

InChI:

InChI=1/C16H15NO4/c1-17(14-9-7-13(8-10-14)15(18)19)16(20)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,18,19)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.0631 kcal/mol

Physical Properties
Molecular Weight: 284.291 g/mol	logS: -3.55555	SlogP: 2.0895	Reactive groups: 0

Topological Properties
Globularity: 0.0444919	Sterimol/B1: 2.06991	Sterimol/B2: 3.47193	Sterimol/B3: 3.95992
Sterimol/B4: 5.44972	Sterimol/L: 17.8591

Surface and Volume Properties
Accessible surface: 530.545	Positive charged surface: 293.672	Negative charged surface: 236.873	Volume: 271.5
Hydrophobic surface: 403.75	Hydrophilic surface: 126.795

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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

search links for this molecule:

Parent related molecule:

MMs02331056
NCID-ZINC01701510