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MMsINC code: MMs00160367

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O=C(N1CCC(CC1)C(=O)Nc1c2c(ccc1)cccc2)c1ccccc1C

InChI:

InChI=1/C24H24N2O2/c1-17-7-2-4-10-20(17)24(28)26-15-13-19(14-16-26)23(27)25-22-12-6-9-18-8-3-5-11-21(18)22/h2-12,19H,13-16H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.453 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -6.08211	SlogP: 4.63912	Reactive groups: 0

Topological Properties
Globularity: 0.0959573	Sterimol/B1: 2.72885	Sterimol/B2: 2.97198	Sterimol/B3: 6.24807
Sterimol/B4: 6.61304	Sterimol/L: 17.4277

Surface and Volume Properties
Accessible surface: 646.079	Positive charged surface: 388.836	Negative charged surface: 246.049	Volume: 371.625
Hydrophobic surface: 600.491	Hydrophilic surface: 45.588

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.