MMsINC Database Search


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MMsINC code: MMs00584592

Type: Neutral
Formula: C₁₈H₁₆N₂O₄

SMILES:

O(C)c1cc(NC(=O)CCN2C(=O)c3c(cccc3)C2=O)ccc1

InChI:

InChI=1/C18H16N2O4/c1-24-13-6-4-5-12(11-13)19-16(21)9-10-20-17(22)14-7-2-3-8-15(14)18(20)23/h2-8,11H,9-10H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.2095 kcal/mol

Physical Properties
Molecular Weight: 324.336 g/mol	logS: -3.86346	SlogP: 2.32	Reactive groups: 0

Topological Properties
Globularity: 0.0267901	Sterimol/B1: 2.74949	Sterimol/B2: 2.75357	Sterimol/B3: 3.7751
Sterimol/B4: 5.10657	Sterimol/L: 19.6854

Surface and Volume Properties
Accessible surface: 575.615	Positive charged surface: 357.745	Negative charged surface: 217.87	Volume: 300.5
Hydrophobic surface: 445.539	Hydrophilic surface: 130.076

Pharmacophoric Properties
Hydrogen bond donors: 1	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.