MMsINC Database Search


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MMsINC code: MMs02090569

Type: Neutral
Formula: C₂₀H₂₄N₂O₄

SMILES:

O(C(=O)c1c(-c2ccccc2)c([nH]c1C)C(=O)C(=O)NC(C)(C)C)CC

InChI:

InChI=1/C20H24N2O4/c1-6-26-19(25)14-12(2)21-16(15(14)13-10-8-7-9-11-13)17(23)18(24)22-20(3,4)5/h7-11,21H,6H2,1-5H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.1937 kcal/mol

Physical Properties
Molecular Weight: 356.422 g/mol	logS: -4.88884	SlogP: 3.26422	Reactive groups: 0

Topological Properties
Globularity: 0.071155	Sterimol/B1: 2.5037	Sterimol/B2: 4.40678	Sterimol/B3: 5.01956
Sterimol/B4: 7.89944	Sterimol/L: 17.5926

Surface and Volume Properties
Accessible surface: 638.92	Positive charged surface: 412.351	Negative charged surface: 226.569	Volume: 352.125
Hydrophobic surface: 466.759	Hydrophilic surface: 172.161

Pharmacophoric Properties
Hydrogen bond donors: 2	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.