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MMsINC code: MMs03267222

Type: Neutral
Formula: C₂₅H₂₇N

SMILES:

N(CCc1ccccc1)(CC(=C(c1ccccc1)c1ccccc1)C)C

InChI:

InChI=1/C25H27N/c1-21(20-26(2)19-18-22-12-6-3-7-13-22)25(23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17H,18-20H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.151 kcal/mol

Physical Properties
Molecular Weight: 341.498 g/mol	logS: -5.38596	SlogP: 5.50016	Reactive groups: 0

Topological Properties
Globularity: 0.0766513	Sterimol/B1: 2.24946	Sterimol/B2: 2.74104	Sterimol/B3: 5.13586
Sterimol/B4: 8.75668	Sterimol/L: 18.3124

Surface and Volume Properties
Accessible surface: 633.42	Positive charged surface: 388.516	Negative charged surface: 244.904	Volume: 379.25
Hydrophobic surface: 627.054	Hydrophilic surface: 6.366

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03267223
PUBCHEM-ZINC05426815