MMsINC Database Search


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MMsINC code: MMs00515589

Type: Neutral
Formula: C₂₀H₂₀N₂O₄

SMILES:

O(CC)c1ccc(cc1)CC1C(=O)N(Cc2ccccc2)C(=O)NC1=O

InChI:

InChI=1/C20H20N2O4/c1-2-26-16-10-8-14(9-11-16)12-17-18(23)21-20(25)22(19(17)24)13-15-6-4-3-5-7-15/h3-11,17H,2,12-13H2,1H3,(H,21,23,25)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.6512 kcal/mol

Physical Properties
Molecular Weight: 352.39 g/mol	logS: -4.15314	SlogP: 2.78897	Reactive groups: 0

Topological Properties
Globularity: 0.0594173	Sterimol/B1: 2.87662	Sterimol/B2: 4.00569	Sterimol/B3: 4.79535
Sterimol/B4: 5.21146	Sterimol/L: 18.4631

Surface and Volume Properties
Accessible surface: 610.09	Positive charged surface: 378.4	Negative charged surface: 231.69	Volume: 331.625
Hydrophobic surface: 463.969	Hydrophilic surface: 146.121

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.