MMsINC Database Search


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MMsINC code: MMs00961045

Type: Neutral
Formula: C₂₄H₂₅NO₂

SMILES:

O(C)c1ccc(-n2c3CC(CC(=O)c3cc2-c2ccc(cc2)C)(C)C)cc1

InChI:

InChI=1/C24H25NO2/c1-16-5-7-17(8-6-16)21-13-20-22(14-24(2,3)15-23(20)26)25(21)18-9-11-19(27-4)12-10-18/h5-13H,14-15H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.079 kcal/mol

Physical Properties
Molecular Weight: 359.469 g/mol	logS: -6.22128	SlogP: 5.61639	Reactive groups: 0

Topological Properties
Globularity: 0.079661	Sterimol/B1: 3.36167	Sterimol/B2: 3.42747	Sterimol/B3: 3.93649
Sterimol/B4: 10.1191	Sterimol/L: 15.6922

Surface and Volume Properties
Accessible surface: 627.344	Positive charged surface: 404.553	Negative charged surface: 222.791	Volume: 367.5
Hydrophobic surface: 537.262	Hydrophilic surface: 90.082

Pharmacophoric Properties
Hydrogen bond donors: 0	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.