MMsINC Database Search


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MMsINC code: MMs00883162

Type: Neutral
Formula: C₂₁H₁₄N₂O₃

SMILES:

O=C1N(Cc2cc(ccc2)C(=O)c2ccncc2)C(=O)c2c1cccc2

InChI:

InChI=1/C21H14N2O3/c24-19(15-8-10-22-11-9-15)16-5-3-4-14(12-16)13-23-20(25)17-6-1-2-7-18(17)21(23)26/h1-12H,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.4221 kcal/mol

Physical Properties
Molecular Weight: 342.354 g/mol	logS: -4.5173	SlogP: 3.3752	Reactive groups: 0

Topological Properties
Globularity: 0.124734	Sterimol/B1: 2.45209	Sterimol/B2: 4.21589	Sterimol/B3: 4.23835
Sterimol/B4: 7.10171	Sterimol/L: 16.5202

Surface and Volume Properties
Accessible surface: 579.262	Positive charged surface: 341.066	Negative charged surface: 238.197	Volume: 319.125
Hydrophobic surface: 449.272	Hydrophilic surface: 129.99

Pharmacophoric Properties
Hydrogen bond donors: 0	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.