MMsINC Database Search


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MMsINC code: MMs01450723

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O=C(Nc1ccccc1C(=O)NC(C)c1ccccc1)c1cc(ccc1C)C

InChI:

InChI=1/C24H24N2O2/c1-16-13-14-17(2)21(15-16)24(28)26-22-12-8-7-11-20(22)23(27)25-18(3)19-9-5-4-6-10-19/h4-15,18H,1-3H3,(H,25,27)(H,26,28)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.033 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -6.54395	SlogP: 5.14224	Reactive groups: 0

Topological Properties
Globularity: 0.0629526	Sterimol/B1: 2.13868	Sterimol/B2: 2.62634	Sterimol/B3: 5.01478
Sterimol/B4: 10.455	Sterimol/L: 17.9933

Surface and Volume Properties
Accessible surface: 672.081	Positive charged surface: 391.653	Negative charged surface: 280.429	Volume: 377.25
Hydrophobic surface: 614.11	Hydrophilic surface: 57.971

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.