MMsINC Database Search


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MMsINC code: MMs00724214

Type: Neutral
Formula: C₂₄H₂₅NO₂

SMILES:

O(CC(=O)NC(c1ccccc1)c1ccccc1)c1cc(cc(c1)C)CC

InChI:

InChI=1/C24H25NO2/c1-3-19-14-18(2)15-22(16-19)27-17-23(26)25-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,24H,3,17H2,1-2H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.6752 kcal/mol

Physical Properties
Molecular Weight: 359.469 g/mol	logS: -6.60669	SlogP: 4.93749	Reactive groups: 0

Topological Properties
Globularity: 0.100803	Sterimol/B1: 2.37558	Sterimol/B2: 5.01634	Sterimol/B3: 5.99208
Sterimol/B4: 6.84365	Sterimol/L: 17.6158

Surface and Volume Properties
Accessible surface: 696.122	Positive charged surface: 412.454	Negative charged surface: 283.668	Volume: 377.125
Hydrophobic surface: 628.04	Hydrophilic surface: 68.082

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.