MMsINC Database Search


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MMsINC code: MMs00893074

Type: Neutral
Formula: C₂₃H₂₄N₂O₃

SMILES:

O(C(=O)c1cc(n(CC(=O)NCc2ccccc2)c1C)-c1ccccc1)CC

InChI:

InChI=1/C23H24N2O3/c1-3-28-23(27)20-14-21(19-12-8-5-9-13-19)25(17(20)2)16-22(26)24-15-18-10-6-4-7-11-18/h4-14H,3,15-16H2,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.2937 kcal/mol

Physical Properties
Molecular Weight: 376.456 g/mol	logS: -5.08009	SlogP: 4.48942	Reactive groups: 0

Topological Properties
Globularity: 0.0341195	Sterimol/B1: 2.45642	Sterimol/B2: 3.69669	Sterimol/B3: 4.52791
Sterimol/B4: 8.48478	Sterimol/L: 20.1746

Surface and Volume Properties
Accessible surface: 691.007	Positive charged surface: 415.159	Negative charged surface: 275.848	Volume: 378.625
Hydrophobic surface: 590.708	Hydrophilic surface: 100.299

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.