MMsINC Database Search


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MMsINC code: MMs02961403

Type: Neutral
Formula: C₂₄H₂₆N₂O₂

SMILES:

O=C(C)c1cc(n(CCC(=O)Nc2ccc(cc2C)C)c1C)-c1ccccc1

InChI:

InChI=1/C24H26N2O2/c1-16-10-11-22(17(2)14-16)25-24(28)12-13-26-18(3)21(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)=106.384 kcal/mol

Physical Properties
Molecular Weight: 374.484 g/mol	logS: -5.25569	SlogP: 5.57816	Reactive groups: 0

Topological Properties
Globularity: 0.0537818	Sterimol/B1: 2.82384	Sterimol/B2: 5.2916	Sterimol/B3: 5.84794
Sterimol/B4: 6.86888	Sterimol/L: 18.5427

Surface and Volume Properties
Accessible surface: 681.396	Positive charged surface: 400.298	Negative charged surface: 281.098	Volume: 383.75
Hydrophobic surface: 608.768	Hydrophilic surface: 72.628

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.