MMsINC Database Search


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MMsINC code: MMs00893121

Type: Neutral
Formula: C₂₄H₂₆N₂O₃

SMILES:

O(C(=O)c1cc(n(CC(=O)NCc2ccc(cc2)C)c1C)-c1ccccc1)CC

InChI:

InChI=1/C24H26N2O3/c1-4-29-24(28)21-14-22(20-8-6-5-7-9-20)26(18(21)3)16-23(27)25-15-19-12-10-17(2)11-13-19/h5-14H,4,15-16H2,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.9134 kcal/mol

Physical Properties
Molecular Weight: 390.483 g/mol	logS: -5.55401	SlogP: 4.79784	Reactive groups: 0

Topological Properties
Globularity: 0.0290602	Sterimol/B1: 2.5805	Sterimol/B2: 3.5315	Sterimol/B3: 4.44661
Sterimol/B4: 8.72033	Sterimol/L: 21.1836

Surface and Volume Properties
Accessible surface: 720.072	Positive charged surface: 447.462	Negative charged surface: 272.61	Volume: 395.5
Hydrophobic surface: 620.183	Hydrophilic surface: 99.889

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.