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MMsINC code: MMs02379568

Type: Neutral
Formula: C₂₅H₂₆N+

SMILES:

[NH+]1(CC(C(CC1)=C(c1ccccc1)c1ccccc1)c1ccccc1)C

InChI:

InChI=1/C25H25N/c1-26-18-17-23(24(19-26)20-11-5-2-6-12-20)25(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,24H,17-19H2,1H3/p+1/t24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.007 kcal/mol

Physical Properties
Molecular Weight: 340.49 g/mol	logS: -5.57298	SlogP: 4.00799	Reactive groups: 0

Topological Properties
Globularity: 0.412691	Sterimol/B1: 2.00525	Sterimol/B2: 4.3558	Sterimol/B3: 6.46044
Sterimol/B4: 10.5392	Sterimol/L: 14.0433

Surface and Volume Properties
Accessible surface: 599.161	Positive charged surface: 417.907	Negative charged surface: 181.254	Volume: 375.375
Hydrophobic surface: 560.291	Hydrophilic surface: 38.87

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 1
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02379569
NCID-ZINC02044725