MMsINC Database Search


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MMsINC code: MMs02253515

Type: Neutral
Formula: C₂₄H₂₆N₂

SMILES:

N(C)(C)c1ccc(cc1)C(=Cc1ccccc1)c1ccc(N(C)C)cc1

InChI:

InChI=1/C24H26N2/c1-25(2)22-14-10-20(11-15-22)24(18-19-8-6-5-7-9-19)21-12-16-23(17-13-21)26(3)4/h5-18H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.414 kcal/mol

Physical Properties
Molecular Weight: 342.486 g/mol	logS: -5.89137	SlogP: 5.22479	Reactive groups: 0

Topological Properties
Globularity: 0.101844	Sterimol/B1: 2.38755	Sterimol/B2: 4.6777	Sterimol/B3: 5.83143
Sterimol/B4: 6.90356	Sterimol/L: 16.2667

Surface and Volume Properties
Accessible surface: 646.545	Positive charged surface: 488.121	Negative charged surface: 158.424	Volume: 371.5
Hydrophobic surface: 646.545	Hydrophilic surface: 0

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

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Ions/Tautomers related molecules: no related molecules available.