MMsINC Database Search


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MMsINC code: MMs02309022

Type: Neutral
Formula: C₂₅H₂₉N

SMILES:

N(CCCc1ccccc1)(CCCc1ccccc1)c1ccc(cc1)C

InChI:

InChI=1/C25H29N/c1-22-16-18-25(19-17-22)26(20-8-14-23-10-4-2-5-11-23)21-9-15-24-12-6-3-7-13-24/h2-7,10-13,16-19H,8-9,14-15,20-21H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.3153 kcal/mol

Physical Properties
Molecular Weight: 343.514 g/mol	logS: -5.84849	SlogP: 6.06696	Reactive groups: 0

Topological Properties
Globularity: 0.0619468	Sterimol/B1: 1.969	Sterimol/B2: 3.52698	Sterimol/B3: 3.5289
Sterimol/B4: 11.4418	Sterimol/L: 18.6357

Surface and Volume Properties
Accessible surface: 697.763	Positive charged surface: 423.188	Negative charged surface: 274.575	Volume: 388.75
Hydrophobic surface: 687.884	Hydrophilic surface: 9.879

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.