MMsINC Database Search


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MMsINC code: MMs01180389

Type: Neutral
Formula: C₂₀H₂₆N₂O₃

SMILES:

o1ccc(C(=O)N(CCC(=O)Nc2cc(C)c(cc2)C)CCC)c1C

InChI:

InChI=1/C20H26N2O3/c1-5-10-22(20(24)18-9-12-25-16(18)4)11-8-19(23)21-17-7-6-14(2)15(3)13-17/h6-7,9,12-13H,5,8,10-11H2,1-4H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.5867 kcal/mol

Physical Properties
Molecular Weight: 342.439 g/mol	logS: -4.69223	SlogP: 4.08586	Reactive groups: 0

Topological Properties
Globularity: 0.0803	Sterimol/B1: 2.15584	Sterimol/B2: 3.00688	Sterimol/B3: 4.98441
Sterimol/B4: 9.49617	Sterimol/L: 16.452

Surface and Volume Properties
Accessible surface: 644.327	Positive charged surface: 397.86	Negative charged surface: 246.467	Volume: 350
Hydrophobic surface: 547.946	Hydrophilic surface: 96.381

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.