MMsINC Database Search


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MMsINC code: MMs02961343

Type: Neutral
Formula: C₂₄H₂₆N₂O₂

SMILES:

O=C(C)c1cc(n(CCC(=O)Nc2cc(C)c(cc2)C)c1C)-c1ccccc1

InChI:

InChI=1/C24H26N2O2/c1-16-10-11-21(14-17(16)2)25-24(28)12-13-26-18(3)22(19(4)27)15-23(26)20-8-6-5-7-9-20/h5-11,14-15H,12-13H2,1-4H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.758 kcal/mol

Physical Properties
Molecular Weight: 374.484 g/mol	logS: -5.56914	SlogP: 5.57816	Reactive groups: 0

Topological Properties
Globularity: 0.0517045	Sterimol/B1: 2.83291	Sterimol/B2: 4.70951	Sterimol/B3: 4.74501
Sterimol/B4: 7.59798	Sterimol/L: 18.8405

Surface and Volume Properties
Accessible surface: 685.711	Positive charged surface: 397.013	Negative charged surface: 288.698	Volume: 386.375
Hydrophobic surface: 605.631	Hydrophilic surface: 80.08

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.