MMsINC Database Search


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MMsINC code: MMs00807194

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(CC(=O)Nc1ccccc1C)c1ccccc1C(=O)Nc1cccc(C)c1C

InChI:

InChI=1/C24H24N2O3/c1-16-10-8-13-21(18(16)3)26-24(28)19-11-5-7-14-22(19)29-15-23(27)25-20-12-6-4-9-17(20)2/h4-14H,15H2,1-3H3,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.179 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -6.19654	SlogP: 4.88166	Reactive groups: 0

Topological Properties
Globularity: 0.0283574	Sterimol/B1: 2.3064	Sterimol/B2: 4.23917	Sterimol/B3: 6.0677
Sterimol/B4: 6.93088	Sterimol/L: 18.5023

Surface and Volume Properties
Accessible surface: 694.53	Positive charged surface: 418.725	Negative charged surface: 275.805	Volume: 384
Hydrophobic surface: 634.781	Hydrophilic surface: 59.749

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.