MMsINC Database Search


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MMsINC code: MMs02674113

Type: Neutral
Formula: C₁₅H₁₄N₂O₄

SMILES:

O(C)c1ccc(NC(=O)Nc2ccccc2C(O)=O)cc1

InChI:

InChI=1/C15H14N2O4/c1-21-11-8-6-10(7-9-11)16-15(20)17-13-5-3-2-4-12(13)14(18)19/h2-9H,1H3,(H,18,19)(H2,16,17,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.5545 kcal/mol

Physical Properties
Molecular Weight: 286.287 g/mol	logS: -3.27183	SlogP: 3.0374	Reactive groups: 0

Topological Properties
Globularity: 0.0343008	Sterimol/B1: 3.08072	Sterimol/B2: 3.54593	Sterimol/B3: 4.54312
Sterimol/B4: 4.82056	Sterimol/L: 16.7863

Surface and Volume Properties
Accessible surface: 512.696	Positive charged surface: 327.876	Negative charged surface: 184.821	Volume: 260.25
Hydrophobic surface: 368.572	Hydrophilic surface: 144.124

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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

MMs02674114
PUBCHEM-ZINC00397419