MMsINC Database Search


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MMsINC code: MMs00669781

Type: Neutral
Formula: C₂₄H₂₅NO₂

SMILES:

O(Cc1ccc(cc1)C(=O)Nc1ccc(cc1C)C)c1cc(C)c(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.805 kcal/mol

Physical Properties
Molecular Weight: 359.469 g/mol	logS: -6.75538	SlogP: 6.01798	Reactive groups: 0

Topological Properties
Globularity: 0.0332379	Sterimol/B1: 3.27585	Sterimol/B2: 3.849	Sterimol/B3: 4.2121
Sterimol/B4: 5.33076	Sterimol/L: 22.2494

Surface and Volume Properties
Accessible surface: 690.321	Positive charged surface: 408.145	Negative charged surface: 282.176	Volume: 372.375
Hydrophobic surface: 648.475	Hydrophilic surface: 41.846

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.