MMsINC Database Search


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MMsINC code: MMs02313150

Type: Neutral
Formula: C₁₉H₂₄N₂O

SMILES:

[O-][N+]1(c2c(CCc3c1cccc3)cccc2)CCCN(C)C

InChI:

InChI=1/C19H24N2O/c1-20(2)14-7-15-21(22)18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=168.586 kcal/mol

Physical Properties
Molecular Weight: 296.414 g/mol	logS: -3.788	SlogP: 3.87364	Reactive groups: 0

Topological Properties
Globularity: 0.330957	Sterimol/B1: 2.44322	Sterimol/B2: 5.91427	Sterimol/B3: 6.10357
Sterimol/B4: 6.29467	Sterimol/L: 11.7

Surface and Volume Properties
Accessible surface: 528.926	Positive charged surface: 375.491	Negative charged surface: 153.435	Volume: 309.375
Hydrophobic surface: 502.676	Hydrophilic surface: 26.25

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

MMs02313151
NCID-ZINC01678359