MMsINC Database Search


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MMsINC code: MMs00173423

Type: Neutral
Formula: C₂₀H₂₀N₂O₄

SMILES:

O(CC)c1ccc(NC(=O)Cn2cc(c3c2cccc3)C(OC)=O)cc1

InChI:

InChI=1/C20H20N2O4/c1-3-26-15-10-8-14(9-11-15)21-19(23)13-22-12-17(20(24)25-2)16-6-4-5-7-18(16)22/h4-12H,3,13H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.7964 kcal/mol

Physical Properties
Molecular Weight: 352.39 g/mol	logS: -4.32454	SlogP: 3.7317	Reactive groups: 0

Topological Properties
Globularity: 0.0728657	Sterimol/B1: 2.54487	Sterimol/B2: 5.19032	Sterimol/B3: 5.66769
Sterimol/B4: 6.84981	Sterimol/L: 19.2147

Surface and Volume Properties
Accessible surface: 647.179	Positive charged surface: 423.35	Negative charged surface: 218.198	Volume: 339.75
Hydrophobic surface: 529.887	Hydrophilic surface: 117.292

Pharmacophoric Properties
Hydrogen bond donors: 1	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.