MMsINC Database Search


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MMsINC code: MMs03773541

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1cccc(C)c1C

InChI:

InChI=1/C24H24N2O3/c1-17-9-8-14-22(18(17)2)29-16-23(27)26-21-13-7-6-12-20(21)24(28)25-15-19-10-4-3-5-11-19/h3-14H,15-16H2,1-2H3,(H,25,28)(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.096 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -5.98011	SlogP: 4.51734	Reactive groups: 0

Topological Properties
Globularity: 0.0302224	Sterimol/B1: 3.50842	Sterimol/B2: 4.08958	Sterimol/B3: 4.36912
Sterimol/B4: 7.44427	Sterimol/L: 21.8283

Surface and Volume Properties
Accessible surface: 712.8	Positive charged surface: 423.439	Negative charged surface: 289.361	Volume: 386.75
Hydrophobic surface: 640.452	Hydrophilic surface: 72.348

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.