MMsINC Database Search


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MMsINC code: MMs02941763

Type: Neutral
Formula: C₁₆H₁₈N₂O₄

SMILES:

O(C)c1cc(NC(=O)Nc2cc(OC)ccc2)cc(OC)c1

InChI:

InChI=1/C16H18N2O4/c1-20-13-6-4-5-11(7-13)17-16(19)18-12-8-14(21-2)10-15(9-12)22-3/h4-10H,1-3H3,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.8581 kcal/mol

Physical Properties
Molecular Weight: 302.33 g/mol	logS: -3.40319	SlogP: 3.3564	Reactive groups: 0

Topological Properties
Globularity: 0.0604457	Sterimol/B1: 2.14946	Sterimol/B2: 2.79354	Sterimol/B3: 4.73868
Sterimol/B4: 6.43625	Sterimol/L: 16.5906

Surface and Volume Properties
Accessible surface: 564.964	Positive charged surface: 424.776	Negative charged surface: 140.189	Volume: 287.875
Hydrophobic surface: 472.818	Hydrophilic surface: 92.146

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.