MMsINC Database Search


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MMsINC code: MMs03151516

Type: Neutral
Formula: C₂₅H₂₄N₂O₂

SMILES:

O(Cc1ccccc1)c1cc2c([nH]c(C)c2CC(=O)NCc2ccccc2)cc1

InChI:

InChI=1/C25H24N2O2/c1-18-22(15-25(28)26-16-19-8-4-2-5-9-19)23-14-21(12-13-24(23)27-18)29-17-20-10-6-3-7-11-20/h2-14,27H,15-17H2,1H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.7535 kcal/mol

Physical Properties
Molecular Weight: 384.479 g/mol	logS: -5.78195	SlogP: 5.44699	Reactive groups: 0

Topological Properties
Globularity: 0.0396716	Sterimol/B1: 2.27869	Sterimol/B2: 3.36833	Sterimol/B3: 3.90442
Sterimol/B4: 10.9295	Sterimol/L: 18.868

Surface and Volume Properties
Accessible surface: 725.546	Positive charged surface: 432.51	Negative charged surface: 289.175	Volume: 389.5
Hydrophobic surface: 648.466	Hydrophilic surface: 77.08

Pharmacophoric Properties
Hydrogen bond donors: 2	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.