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MMsINC code: MMs02513241

Type: Neutral
Formula: C₁₉H₂₇NO₂

SMILES:

O(C)c1cc2C3N(CCC4C3CCCC4)CCc2cc1OC

InChI:

InChI=1/C19H27NO2/c1-21-17-11-14-8-10-20-9-7-13-5-3-4-6-15(13)19(20)16(14)12-18(17)22-2/h11-13,15,19H,3-10H2,1-2H3/t13-,15-,19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.717 kcal/mol

Physical Properties
Molecular Weight: 301.43 g/mol	logS: -3.9405	SlogP: 3.90857	Reactive groups: 0

Topological Properties
Globularity: 0.093099	Sterimol/B1: 3.04009	Sterimol/B2: 3.72642	Sterimol/B3: 4.7872
Sterimol/B4: 6.62646	Sterimol/L: 14.2539

Surface and Volume Properties
Accessible surface: 517.114	Positive charged surface: 439.515	Negative charged surface: 77.5991	Volume: 308.875
Hydrophobic surface: 498.822	Hydrophilic surface: 18.292

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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

MMs02513242
NCID-ZINC05955844