MMsINC Database Search


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MMsINC code: MMs01424189

Type: Neutral
Formula: C₁₈H₁₈N₂O₄

SMILES:

O(C(=O)c1ccc(NC(=O)N)cc1)CC(=O)c1ccc(cc1)CC

InChI:

InChI=1/C18H18N2O4/c1-2-12-3-5-13(6-4-12)16(21)11-24-17(22)14-7-9-15(10-8-14)20-18(19)23/h3-10H,2,11H2,1H3,(H3,19,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.7425 kcal/mol

Physical Properties
Molecular Weight: 326.352 g/mol	logS: -5.0043	SlogP: 2.77927	Reactive groups: 0

Topological Properties
Globularity: 0.0112824	Sterimol/B1: 2.06055	Sterimol/B2: 3.67657	Sterimol/B3: 3.77145
Sterimol/B4: 4.39149	Sterimol/L: 21.6479

Surface and Volume Properties
Accessible surface: 608.276	Positive charged surface: 367.327	Negative charged surface: 240.949	Volume: 308.875
Hydrophobic surface: 382.822	Hydrophilic surface: 225.454

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.