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MMsINC code: MMs01853064

Type: Neutral
Formula: C₂₄H₂₉NO₂

SMILES:

o1cccc1C(Cc1ccccc1)CCNCc1ccc(OC(C)C)cc1

InChI:

InChI=1/C24H29NO2/c1-19(2)27-23-12-10-21(11-13-23)18-25-15-14-22(24-9-6-16-26-24)17-20-7-4-3-5-8-20/h3-13,16,19,22,25H,14-15,17-18H2,1-2H3/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.6231 kcal/mol

Physical Properties
Molecular Weight: 363.501 g/mol	logS: -5.31682	SlogP: 5.83937	Reactive groups: 0

Topological Properties
Globularity: 0.0417263	Sterimol/B1: 3.59278	Sterimol/B2: 3.96464	Sterimol/B3: 4.47802
Sterimol/B4: 5.43347	Sterimol/L: 21.5209

Surface and Volume Properties
Accessible surface: 698.131	Positive charged surface: 457.495	Negative charged surface: 240.636	Volume: 388.25
Hydrophobic surface: 626.936	Hydrophilic surface: 71.195

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs01853065
IBS-ZINC02404660