MMsINC Database Search


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MMsINC code: MMs02343502

Type: Neutral
Formula: C₁₅H₁₉NO

SMILES:

O1CC(=Cc2c1cccc2)CN1CCCCC1

InChI:

InChI=1/C15H19NO/c1-4-8-16(9-5-1)11-13-10-14-6-2-3-7-15(14)17-12-13/h2-3,6-7,10H,1,4-5,8-9,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.0014 kcal/mol

Physical Properties
Molecular Weight: 229.323 g/mol	logS: -2.72511	SlogP: 2.9483	Reactive groups: 0

Topological Properties
Globularity: 0.0859154	Sterimol/B1: 2.66793	Sterimol/B2: 3.4017	Sterimol/B3: 3.48562
Sterimol/B4: 5.82732	Sterimol/L: 14.3249

Surface and Volume Properties
Accessible surface: 466.17	Positive charged surface: 347.296	Negative charged surface: 118.874	Volume: 244.25
Hydrophobic surface: 432.65	Hydrophilic surface: 33.52

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

MMs02343503
NCID-ZINC01718135