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MMsINC code: MMs00994052

Type: Neutral
Formula: C₂₂H₂₆N₂O₃

SMILES:

o1c2c(c(C(=O)Nc3ccccc3C)c1C)c(CN(CC)CC)c(O)cc2

InChI:

InChI=1/C22H26N2O3/c1-5-24(6-2)13-16-18(25)11-12-19-21(16)20(15(4)27-19)22(26)23-17-10-8-7-9-14(17)3/h7-12,25H,5-6,13H2,1-4H3,(H,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.699 kcal/mol

Physical Properties
Molecular Weight: 366.461 g/mol	logS: -5.43798	SlogP: 5.11574	Reactive groups: 0

Topological Properties
Globularity: 0.2503	Sterimol/B1: 2.88881	Sterimol/B2: 3.87813	Sterimol/B3: 5.09646
Sterimol/B4: 8.85218	Sterimol/L: 14.5132

Surface and Volume Properties
Accessible surface: 598.97	Positive charged surface: 390.798	Negative charged surface: 205.435	Volume: 367.75
Hydrophobic surface: 506.133	Hydrophilic surface: 92.837

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs00994053
CHEMDIV-ZINC05182439