MMsINC Database Search


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MMsINC code: MMs02389555

Type: Neutral
Formula: C₂₃H₂₆N₂O

SMILES:

Oc1ccccc1C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1

InChI:

InChI=1/C23H26N2O/c1-24(2)19-13-9-17(10-14-19)23(21-7-5-6-8-22(21)26)18-11-15-20(16-12-18)25(3)4/h5-16,23,26H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.648 kcal/mol

Physical Properties
Molecular Weight: 346.474 g/mol	logS: -4.32314	SlogP: 4.7044	Reactive groups: 0

Topological Properties
Globularity: 0.142945	Sterimol/B1: 2.79686	Sterimol/B2: 3.35182	Sterimol/B3: 5.68005
Sterimol/B4: 9.51333	Sterimol/L: 16.3143

Surface and Volume Properties
Accessible surface: 631.398	Positive charged surface: 476.456	Negative charged surface: 154.941	Volume: 365.625
Hydrophobic surface: 591.484	Hydrophilic surface: 39.914

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.