MMsINC Database Search


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MMsINC code: MMs02325355

Type: Neutral
Formula: C₁₇H₁₄N₂O₃

SMILES:

O(Cc1ccccc1)C(=O)Nc1cc2c([nH]cc2C=O)cc1

InChI:

InChI=1/C17H14N2O3/c20-10-13-9-18-16-7-6-14(8-15(13)16)19-17(21)22-11-12-4-2-1-3-5-12/h1-10,18H,11H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.7551 kcal/mol

Physical Properties
Molecular Weight: 294.31 g/mol	logS: -3.7277	SlogP: 3.9955	Reactive groups: 1

Topological Properties
Globularity: 0.0301857	Sterimol/B1: 3.05085	Sterimol/B2: 3.70928	Sterimol/B3: 4.73876
Sterimol/B4: 5.29025	Sterimol/L: 17.5362

Surface and Volume Properties
Accessible surface: 550.142	Positive charged surface: 311.226	Negative charged surface: 233.439	Volume: 277.625
Hydrophobic surface: 370.147	Hydrophilic surface: 179.995

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.