MMsINC Database Search


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MMsINC code: MMs03237725

Type: Neutral
Formula: C₂₄H₂₉N

SMILES:

N(c1ccc(cc1)C(CC(C)(C)C)(C)C)c1cc2c(cc1)cccc2

InChI:

InChI=1/C24H29N/c1-23(2,3)17-24(4,5)20-11-14-21(15-12-20)25-22-13-10-18-8-6-7-9-19(18)16-22/h6-16,25H,17H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=220.064 kcal/mol

Physical Properties
Molecular Weight: 331.503 g/mol	logS: -8.96354	SlogP: 7.2972	Reactive groups: 0

Topological Properties
Globularity: 0.0584328	Sterimol/B1: 2.21964	Sterimol/B2: 3.8308	Sterimol/B3: 5.49512
Sterimol/B4: 6.09518	Sterimol/L: 17.8809

Surface and Volume Properties
Accessible surface: 609.293	Positive charged surface: 366.97	Negative charged surface: 232.757	Volume: 361.25
Hydrophobic surface: 515.263	Hydrophilic surface: 94.03

Pharmacophoric Properties
Hydrogen bond donors: 1	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.