MMsINC Database Search


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MMsINC code: MMs00532577

Type: Neutral
Formula: C₂₂H₁₄N₂O₃

SMILES:

o1c2cc(NC(=O)C(=O)c3c4c([nH]c3)cccc4)ccc2c2c1cccc2

InChI:

InChI=1/C22H14N2O3/c25-21(17-12-23-18-7-3-1-5-14(17)18)22(26)24-13-9-10-16-15-6-2-4-8-19(15)27-20(16)11-13/h1-12,23H,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.6791 kcal/mol

Physical Properties
Molecular Weight: 354.365 g/mol	logS: -7.26813	SlogP: 4.8887	Reactive groups: 0

Topological Properties
Globularity: 0.00933906	Sterimol/B1: 2.19629	Sterimol/B2: 3.1249	Sterimol/B3: 3.92877
Sterimol/B4: 5.35977	Sterimol/L: 20.3349

Surface and Volume Properties
Accessible surface: 600.544	Positive charged surface: 310.132	Negative charged surface: 273.017	Volume: 328.75
Hydrophobic surface: 472.508	Hydrophilic surface: 128.036

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: 0

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Ions/Tautomers related molecules: no related molecules available.