MMsINC Database Search


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MMsINC code: MMs02389507

Type: Neutral
Formula: C₂₃H₂₅N₃

SMILES:

n1ccccc1C=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1

InChI:

InChI=1/C23H25N3/c1-25(2)21-12-8-18(9-13-21)23(17-20-7-5-6-16-24-20)19-10-14-22(15-11-19)26(3)4/h5-17H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=152.873 kcal/mol

Physical Properties
Molecular Weight: 343.474 g/mol	logS: -4.15925	SlogP: 4.61979	Reactive groups: 0

Topological Properties
Globularity: 0.0873659	Sterimol/B1: 2.48015	Sterimol/B2: 4.66281	Sterimol/B3: 5.79115
Sterimol/B4: 7.53773	Sterimol/L: 16.1132

Surface and Volume Properties
Accessible surface: 642.753	Positive charged surface: 489.676	Negative charged surface: 153.077	Volume: 369.875
Hydrophobic surface: 637.585	Hydrophilic surface: 5.168

Pharmacophoric Properties
Hydrogen bond donors: 0	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.