MMsINC Database Search


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MMsINC code: MMs00623534

Type: Neutral
Formula: C₂₀H₂₄N₂O₃

SMILES:

O(CC(=O)Nc1ccc(cc1)C(=O)NCC(C)C)c1cc(ccc1)C

InChI:

InChI=1/C20H24N2O3/c1-14(2)12-21-20(24)16-7-9-17(10-8-16)22-19(23)13-25-18-6-4-5-15(3)11-18/h4-11,14H,12-13H2,1-3H3,(H,21,24)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.367 kcal/mol

Physical Properties
Molecular Weight: 340.423 g/mol	logS: -4.78249	SlogP: 3.39832	Reactive groups: 0

Topological Properties
Globularity: 0.0171567	Sterimol/B1: 2.35825	Sterimol/B2: 2.51831	Sterimol/B3: 4.08833
Sterimol/B4: 7.9901	Sterimol/L: 21.1476

Surface and Volume Properties
Accessible surface: 652.039	Positive charged surface: 410.951	Negative charged surface: 241.087	Volume: 344
Hydrophobic surface: 519.916	Hydrophilic surface: 132.123

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.