MMsINC Database Search


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MMsINC code: MMs03806958

Type: Neutral
Formula: C₁₈H₁₆N₂O₄

SMILES:

O(Cc1ccccc1)c1ccc(cc1)CC1C(=O)NC(=O)NC1=O

InChI:

InChI=1/C18H16N2O4/c21-16-15(17(22)20-18(23)19-16)10-12-6-8-14(9-7-12)24-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H2,19,20,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.1367 kcal/mol

Physical Properties
Molecular Weight: 324.336 g/mol	logS: -3.93192	SlogP: 2.05667	Reactive groups: 0

Topological Properties
Globularity: 0.0417256	Sterimol/B1: 3.02347	Sterimol/B2: 3.60475	Sterimol/B3: 3.97602
Sterimol/B4: 4.48163	Sterimol/L: 18.2076

Surface and Volume Properties
Accessible surface: 564.912	Positive charged surface: 317.355	Negative charged surface: 247.557	Volume: 295.625
Hydrophobic surface: 379.851	Hydrophilic surface: 185.061

Pharmacophoric Properties
Hydrogen bond donors: 2	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.