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MMsINC code: MMs01676885

Type: Tautomer
Formula: C₂₄H₂₆N₂O₃

SMILES:

O(C)c1ccccc1CN(CC(=O)Nc1ccc(OCc2ccccc2)cc1)C

InChI:

InChI=1/C24H26N2O3/c1-26(16-20-10-6-7-11-23(20)28-2)17-24(27)25-21-12-14-22(15-13-21)29-18-19-8-4-3-5-9-19/h3-15H,16-18H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.031 kcal/mol

Physical Properties
Molecular Weight: 390.483 g/mol	logS: -5.12142	SlogP: 4.8775	Reactive groups: 0

Topological Properties
Globularity: 0.0494655	Sterimol/B1: 3.30627	Sterimol/B2: 4.16252	Sterimol/B3: 4.75377
Sterimol/B4: 5.57808	Sterimol/L: 21.9641

Surface and Volume Properties
Accessible surface: 714.28	Positive charged surface: 474.579	Negative charged surface: 239.701	Volume: 395.75
Hydrophobic surface: 659.298	Hydrophilic surface: 54.982

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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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Parent related molecule:

MMs01676884
ENAMINE-ZINC06581239