MMsINC Database Search


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MMsINC code: MMs03240735

Type: Neutral
Formula: C₂₄H₂₄N₂

SMILES:

[nH]1cc(c2c1cccc2)C(Cc1ccccc1)c1ccc(N(C)C)cc1

InChI:

InChI=1/C24H24N2/c1-26(2)20-14-12-19(13-15-20)22(16-18-8-4-3-5-9-18)23-17-25-24-11-7-6-10-21(23)24/h3-15,17,22,25H,16H2,1-2H3/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.01 kcal/mol

Physical Properties
Molecular Weight: 340.47 g/mol	logS: -5.4225	SlogP: 5.60847	Reactive groups: 0

Topological Properties
Globularity: 0.153634	Sterimol/B1: 3.06126	Sterimol/B2: 5.18635	Sterimol/B3: 5.26228
Sterimol/B4: 5.81606	Sterimol/L: 16.0378

Surface and Volume Properties
Accessible surface: 616.194	Positive charged surface: 413.695	Negative charged surface: 199.903	Volume: 362.5
Hydrophobic surface: 581.293	Hydrophilic surface: 34.901

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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: no related molecules available.