MMsINC Database Search


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MMsINC code: MMs02249625

Type: Neutral
Formula: C₁₈H₂₄N+

SMILES:

[N+](C(Cc1ccccc1)c1ccc(cc1)C)(C)(C)C

InChI:

InChI=1/C18H24N/c1-15-10-12-17(13-11-15)18(19(2,3)4)14-16-8-6-5-7-9-16/h5-13,18H,14H2,1-4H3/q+1/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=147.195 kcal/mol

Physical Properties
Molecular Weight: 254.397 g/mol	logS: -3.42924	SlogP: 4.08049	Reactive groups: 0

Topological Properties
Globularity: 0.140624	Sterimol/B1: 2.89112	Sterimol/B2: 3.61045	Sterimol/B3: 4.49411
Sterimol/B4: 4.87641	Sterimol/L: 15.1637

Surface and Volume Properties
Accessible surface: 496.05	Positive charged surface: 344.692	Negative charged surface: 151.358	Volume: 285.375
Hydrophobic surface: 456.577	Hydrophilic surface: 39.473

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: no related molecules available.