MMsINC Database Search


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MMsINC code: MMs02254195

Type: Neutral
Formula: C₁₅H₁₃NO₄

SMILES:

O(Cc1ccccc1)C(=O)Nc1ccccc1C(O)=O

InChI:

InChI=1/C15H13NO4/c17-14(18)12-8-4-5-9-13(12)16-15(19)20-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,19)(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.768 kcal/mol

Physical Properties
Molecular Weight: 271.272 g/mol	logS: -3.40109	SlogP: 3.3999	Reactive groups: 0

Topological Properties
Globularity: 0.0430541	Sterimol/B1: 3.24977	Sterimol/B2: 3.85491	Sterimol/B3: 4.68314
Sterimol/B4: 5.14735	Sterimol/L: 16.0609

Surface and Volume Properties
Accessible surface: 511.315	Positive charged surface: 289.564	Negative charged surface: 221.75	Volume: 252.375
Hydrophobic surface: 371.234	Hydrophilic surface: 140.081

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	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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Ions/Tautomers related molecules

MMs02254196
NCID-ZINC01601233