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MMsINC code: MMs01658448

Type: Neutral
Formula: C₂₃H₂₄N₂O₃

SMILES:

O(C(=O)c1c2c([nH]c1)cccc2)CC(=O)N1CCC(CC1)Cc1ccccc1

InChI:

InChI=1/C23H24N2O3/c26-22(16-28-23(27)20-15-24-21-9-5-4-8-19(20)21)25-12-10-18(11-13-25)14-17-6-2-1-3-7-17/h1-9,15,18,24H,10-14,16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.237 kcal/mol

Physical Properties
Molecular Weight: 376.456 g/mol	logS: -4.89462	SlogP: 3.80597	Reactive groups: 0

Topological Properties
Globularity: 0.0222686	Sterimol/B1: 2.58649	Sterimol/B2: 3.12694	Sterimol/B3: 3.77847
Sterimol/B4: 7.76991	Sterimol/L: 20.7794

Surface and Volume Properties
Accessible surface: 670.425	Positive charged surface: 412.63	Negative charged surface: 251.256	Volume: 371.75
Hydrophobic surface: 550.732	Hydrophilic surface: 119.693

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.