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MMsINC code: MMs03005337

Type: Neutral
Formula: C₂₃H₃₄NO+

SMILES:

O(C(c1ccc(cc1)CCC)c1ccccc1)CCCC[N+](C)(C)C

InChI:

InChI=1/C23H34NO/c1-5-11-20-14-16-22(17-15-20)23(21-12-7-6-8-13-21)25-19-10-9-18-24(2,3)4/h6-8,12-17,23H,5,9-11,18-19H2,1-4H3/q+1/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.316 kcal/mol

Physical Properties
Molecular Weight: 340.531 g/mol	logS: -4.94439	SlogP: 5.32697	Reactive groups: 0

Topological Properties
Globularity: 0.0638241	Sterimol/B1: 2.56236	Sterimol/B2: 3.84673	Sterimol/B3: 4.16879
Sterimol/B4: 10.9984	Sterimol/L: 19.0461

Surface and Volume Properties
Accessible surface: 698.729	Positive charged surface: 533.31	Negative charged surface: 165.419	Volume: 385.625
Hydrophobic surface: 622.49	Hydrophilic surface: 76.239

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.