MMsINC Database Search


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MMsINC code: MMs02900525

Type: Neutral
Formula: C₂₄H₂₈N₂

SMILES:

Nc1ccc(cc1)C(C)(C)c1ccc(cc1)C(C)(C)c1ccc(N)cc1

InChI:

InChI=1/C24H28N2/c1-23(2,19-9-13-21(25)14-10-19)17-5-7-18(8-6-17)24(3,4)20-11-15-22(26)16-12-20/h5-16H,25-26H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.725 kcal/mol

Physical Properties
Molecular Weight: 344.502 g/mol	logS: -7.12028	SlogP: 5.5028	Reactive groups: 0

Topological Properties
Globularity: 0.147963	Sterimol/B1: 2.34348	Sterimol/B2: 3.92915	Sterimol/B3: 4.98651
Sterimol/B4: 7.94513	Sterimol/L: 15.4042

Surface and Volume Properties
Accessible surface: 623.543	Positive charged surface: 411.598	Negative charged surface: 211.945	Volume: 369.875
Hydrophobic surface: 439.967	Hydrophilic surface: 183.576

Pharmacophoric Properties
Hydrogen bond donors: 2	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.