MMsINC Database Search


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MMsINC code: MMs02630750

Type: Neutral
Formula: C₁₅H₁₄N₂O₄

SMILES:

OC(=O)Nc1ccc(cc1)Cc1ccc(NC(O)=O)cc1

InChI:

InChI=1/C15H14N2O4/c18-14(19)16-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)17-15(20)21/h1-8,16-17H,9H2,(H,18,19)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.9768 kcal/mol

Physical Properties
Molecular Weight: 286.287 g/mol	logS: -3.23442	SlogP: 3.45717	Reactive groups: 0

Topological Properties
Globularity: 0.101296	Sterimol/B1: 2.8556	Sterimol/B2: 3.70098	Sterimol/B3: 4.20578
Sterimol/B4: 5.14052	Sterimol/L: 17.5182

Surface and Volume Properties
Accessible surface: 514.493	Positive charged surface: 307.023	Negative charged surface: 207.47	Volume: 260.875
Hydrophobic surface: 273.349	Hydrophilic surface: 241.144

Pharmacophoric Properties
Hydrogen bond donors: 6	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: no related molecules available.