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MMsINC code: MMs03041346

Type: Neutral
Formula: C₂₄H₃₂N₂O

SMILES:

O(CC)c1ccccc1-c1[nH]c2c(cc(cc2)CCCC)c1CCCCN

InChI:

InChI=1/C24H32N2O/c1-3-5-10-18-14-15-22-21(17-18)19(11-8-9-16-25)24(26-22)20-12-6-7-13-23(20)27-4-2/h6-7,12-15,17,26H,3-5,8-11,16,25H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.2072 kcal/mol

Physical Properties
Molecular Weight: 364.533 g/mol	logS: -6.59706	SlogP: 5.85754	Reactive groups: 0

Topological Properties
Globularity: 0.164195	Sterimol/B1: 4.98927	Sterimol/B2: 5.73618	Sterimol/B3: 6.1537
Sterimol/B4: 7.0587	Sterimol/L: 17.7919

Surface and Volume Properties
Accessible surface: 720.936	Positive charged surface: 526.2	Negative charged surface: 191.149	Volume: 398.125
Hydrophobic surface: 586.891	Hydrophilic surface: 134.045

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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

MMs03041347
PUBCHEM-ZINC03685970