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MMsINC code: MMs03022798

Type: Neutral
Formula: C₁₉H₂₅NO

SMILES:

OCCCN(CCC(c1ccccc1)c1ccccc1)C

InChI:

InChI=1/C19H25NO/c1-20(14-8-16-21)15-13-19(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,19,21H,8,13-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.005 kcal/mol

Physical Properties
Molecular Weight: 283.415 g/mol	logS: -3.16126	SlogP: 3.5228	Reactive groups: 0

Topological Properties
Globularity: 0.132306	Sterimol/B1: 2.29787	Sterimol/B2: 4.238	Sterimol/B3: 5.51772
Sterimol/B4: 6.70471	Sterimol/L: 16.489

Surface and Volume Properties
Accessible surface: 577.833	Positive charged surface: 407.034	Negative charged surface: 170.798	Volume: 309
Hydrophobic surface: 522.037	Hydrophilic surface: 55.796

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

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Ions/Tautomers related molecules

MMs03022799
PUBCHEM-ZINC03614862