MMsINC Database Search


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MMsINC code: MMs00146258

Type: Neutral
Formula: C₂₃H₃₀N₂O₂

SMILES:

O(CC)c1ccccc1N1CCN(CC1)C(=O)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C23H30N2O2/c1-5-27-21-9-7-6-8-20(21)24-14-16-25(17-15-24)22(26)18-10-12-19(13-11-18)23(2,3)4/h6-13H,5,14-17H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=185.645 kcal/mol

Physical Properties
Molecular Weight: 366.505 g/mol	logS: -5.69278	SlogP: 4.3452	Reactive groups: 0

Topological Properties
Globularity: 0.0977602	Sterimol/B1: 2.11739	Sterimol/B2: 4.0665	Sterimol/B3: 4.8372
Sterimol/B4: 8.18591	Sterimol/L: 17.7444

Surface and Volume Properties
Accessible surface: 674.261	Positive charged surface: 473.084	Negative charged surface: 201.177	Volume: 383.75
Hydrophobic surface: 554.125	Hydrophilic surface: 120.136

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.