MMsINC Database Search


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MMsINC code: MMs01972830

Type: Neutral
Formula: C₂₀H₁₆N₂O₃

SMILES:

O(C)c1ccccc1C(=O)NCc1c2c3c(ccc2)C(=O)Nc3cc1

InChI:

InChI=1/C20H16N2O3/c1-25-17-8-3-2-5-14(17)19(23)21-11-12-9-10-16-18-13(12)6-4-7-15(18)20(24)22-16/h2-10H,11H2,1H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.7748 kcal/mol

Physical Properties
Molecular Weight: 332.359 g/mol	logS: -5.55166	SlogP: 3.6105	Reactive groups: 0

Topological Properties
Globularity: 0.10868	Sterimol/B1: 2.96063	Sterimol/B2: 3.50869	Sterimol/B3: 5.1864
Sterimol/B4: 5.3472	Sterimol/L: 16.6598

Surface and Volume Properties
Accessible surface: 577.591	Positive charged surface: 353.53	Negative charged surface: 214.515	Volume: 312.875
Hydrophobic surface: 451.045	Hydrophilic surface: 126.546

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.