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MMsINC code: MMs03322352

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

Oc1ccc(cc1NC(=O)Nc1c2c(ccc1)cccc2)C1CCCCC1

InChI:

InChI=1/C23H24N2O2/c26-22-14-13-18(16-7-2-1-3-8-16)15-21(22)25-23(27)24-20-12-6-10-17-9-4-5-11-19(17)20/h4-6,9-16,26H,1-3,7-8H2,(H2,24,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.9127 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -7.71596	SlogP: 6.2371	Reactive groups: 0

Topological Properties
Globularity: 0.0715778	Sterimol/B1: 2.75202	Sterimol/B2: 3.93641	Sterimol/B3: 5.30065
Sterimol/B4: 6.86926	Sterimol/L: 17.8356

Surface and Volume Properties
Accessible surface: 636.367	Positive charged surface: 415.151	Negative charged surface: 211.919	Volume: 360.875
Hydrophobic surface: 544.117	Hydrophilic surface: 92.25

Pharmacophoric Properties
Hydrogen bond donors: 3	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.