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MMsINC code: MMs03132936

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O=C(N1CCC(CC1)C)c1ccccc1NC(=O)c1c2c(ccc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.031 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -6.54226	SlogP: 4.9642	Reactive groups: 0

Topological Properties
Globularity: 0.0565115	Sterimol/B1: 2.29904	Sterimol/B2: 2.77132	Sterimol/B3: 5.43218
Sterimol/B4: 9.14438	Sterimol/L: 16.9549

Surface and Volume Properties
Accessible surface: 637.416	Positive charged surface: 391.678	Negative charged surface: 234.854	Volume: 368.625
Hydrophobic surface: 572.245	Hydrophilic surface: 65.171

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.