MMsINC Database Search


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MMsINC code: MMs00521287

Type: Neutral
Formula: C₂₀H₂₀N₂O₃

SMILES:

O(C)c1cc(ccc1OC)C(=O)NCc1ccc(-n2cccc2)cc1

InChI:

InChI=1/C20H20N2O3/c1-24-18-10-7-16(13-19(18)25-2)20(23)21-14-15-5-8-17(9-6-15)22-11-3-4-12-22/h3-13H,14H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.0679 kcal/mol

Physical Properties
Molecular Weight: 336.391 g/mol	logS: -3.56076	SlogP: 3.6909	Reactive groups: 0

Topological Properties
Globularity: 0.0424847	Sterimol/B1: 2.1257	Sterimol/B2: 3.6202	Sterimol/B3: 3.62577
Sterimol/B4: 8.158	Sterimol/L: 19.0627

Surface and Volume Properties
Accessible surface: 626.157	Positive charged surface: 394.54	Negative charged surface: 231.617	Volume: 332.875
Hydrophobic surface: 523.702	Hydrophilic surface: 102.455

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.