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MMsINC code: MMs02807788

Type: Neutral
Formula: C₂₄H₂₂N₂O₂

SMILES:

O(CC(=O)NCCc1c2c([nH]c1)cccc2)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C24H22N2O2/c27-24(25-15-14-20-16-26-23-9-5-4-8-22(20)23)17-28-21-12-10-19(11-13-21)18-6-2-1-3-7-18/h1-13,16,26H,14-15,17H2,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100 kcal/mol

Physical Properties
Molecular Weight: 370.452 g/mol	logS: -6.15348	SlogP: 4.57257	Reactive groups: 0

Topological Properties
Globularity: 0.0314944	Sterimol/B1: 3.45877	Sterimol/B2: 3.68871	Sterimol/B3: 4.03015
Sterimol/B4: 4.04586	Sterimol/L: 23.3734

Surface and Volume Properties
Accessible surface: 698.414	Positive charged surface: 390.172	Negative charged surface: 292.067	Volume: 371.25
Hydrophobic surface: 591.19	Hydrophilic surface: 107.224

Pharmacophoric Properties
Hydrogen bond donors: 2	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.