MMsINC Database Search


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MMsINC code: MMs00795259

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O=C(N(Cc1ccccc1)Cc1ccccc1)c1cc(NC(=O)CC)ccc1

InChI:

InChI=1/C24H24N2O2/c1-2-23(27)25-22-15-9-14-21(16-22)24(28)26(17-19-10-5-3-6-11-19)18-20-12-7-4-8-13-20/h3-16H,2,17-18H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.9525 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -5.37204	SlogP: 5.4105	Reactive groups: 0

Topological Properties
Globularity: 0.150683	Sterimol/B1: 2.24898	Sterimol/B2: 3.92471	Sterimol/B3: 7.55628
Sterimol/B4: 8.60185	Sterimol/L: 16.9504

Surface and Volume Properties
Accessible surface: 661.552	Positive charged surface: 392.085	Negative charged surface: 269.467	Volume: 379.75
Hydrophobic surface: 562.072	Hydrophilic surface: 99.48

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.