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MMsINC code: MMs03158348

Type: Neutral
Formula: C₁₉H₂₅NO

SMILES:

O(C)c1ccc2c(cccc2)c1CN(C)C1CCCCC1

InChI:

InChI=1/C19H25NO/c1-20(16-9-4-3-5-10-16)14-18-17-11-7-6-8-15(17)12-13-19(18)21-2/h6-8,11-13,16H,3-5,9-10,14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.0253 kcal/mol

Physical Properties
Molecular Weight: 283.415 g/mol	logS: -4.65573	SlogP: 4.8793	Reactive groups: 0

Topological Properties
Globularity: 0.0855299	Sterimol/B1: 2.44818	Sterimol/B2: 4.16988	Sterimol/B3: 4.21414
Sterimol/B4: 7.9158	Sterimol/L: 14.0717

Surface and Volume Properties
Accessible surface: 533.367	Positive charged surface: 391.829	Negative charged surface: 130.78	Volume: 304.375
Hydrophobic surface: 526.945	Hydrophilic surface: 6.4219999999999

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs03158349
PUBCHEM-ZINC04695065