MMsINC Database Search


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MMsINC code: MMs00986285

Type: Neutral
Formula: C₂₀H₂₀N₂O₃

SMILES:

O(CC(=O)N(C)c1cc(ccc1)C)C1=CC(=O)N(c2c1cccc2)C

InChI:

InChI=1/C20H20N2O3/c1-14-7-6-8-15(11-14)21(2)20(24)13-25-18-12-19(23)22(3)17-10-5-4-9-16(17)18/h4-12H,13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.497 kcal/mol

Physical Properties
Molecular Weight: 336.391 g/mol	logS: -4.55997	SlogP: 2.99192	Reactive groups: 0

Topological Properties
Globularity: 0.0439988	Sterimol/B1: 2.27428	Sterimol/B2: 4.89824	Sterimol/B3: 5.55565
Sterimol/B4: 5.57485	Sterimol/L: 17.6473

Surface and Volume Properties
Accessible surface: 605.036	Positive charged surface: 391.791	Negative charged surface: 213.245	Volume: 327.5
Hydrophobic surface: 531.387	Hydrophilic surface: 73.649

Pharmacophoric Properties
Hydrogen bond donors: 0	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.