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MMsINC code: MMs01368189

Type: Neutral
Formula: C₂₃H₂₈N₂O₂

SMILES:

O=C(C)c1ccc(NC(=O)C(N2CCC(CC2)Cc2ccccc2)C)cc1

InChI:

InChI=1/C23H28N2O2/c1-17(23(27)24-22-10-8-21(9-11-22)18(2)26)25-14-12-20(13-15-25)16-19-6-4-3-5-7-19/h3-11,17,20H,12-16H2,1-2H3,(H,24,27)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.686 kcal/mol

Physical Properties
Molecular Weight: 364.489 g/mol	logS: -4.89587	SlogP: 4.17087	Reactive groups: 0

Topological Properties
Globularity: 0.0670137	Sterimol/B1: 2.18843	Sterimol/B2: 2.33583	Sterimol/B3: 5.19298
Sterimol/B4: 8.74168	Sterimol/L: 18.7763

Surface and Volume Properties
Accessible surface: 665.146	Positive charged surface: 422.229	Negative charged surface: 242.917	Volume: 375.375
Hydrophobic surface: 574.835	Hydrophilic surface: 90.311

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs01368190
ENAMINE-ZINC03317863