MMsINC Database Search


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MMsINC code: MMs00187415

Type: Neutral
Formula: C₂₅H₂₇NO₂

SMILES:

O(CC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1C(C)(C)C

InChI:

InChI=1/C25H27NO2/c1-25(2,3)21-16-10-11-17-22(21)28-18-23(27)26-24(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-17,24H,18H2,1-3H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.262 kcal/mol

Physical Properties
Molecular Weight: 373.496 g/mol	logS: -6.84976	SlogP: 5.3642	Reactive groups: 0

Topological Properties
Globularity: 0.123783	Sterimol/B1: 3.40235	Sterimol/B2: 4.74382	Sterimol/B3: 6.05985
Sterimol/B4: 6.29015	Sterimol/L: 16.4608

Surface and Volume Properties
Accessible surface: 679.718	Positive charged surface: 401.039	Negative charged surface: 278.679	Volume: 391.875
Hydrophobic surface: 602.297	Hydrophilic surface: 77.421

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.