MMsINC Database Search


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MMsINC code: MMs00285824

Type: Neutral
Formula: C₁₉H₂₃N

SMILES:

N(C1(CCCCC1)CC=C)c1c2c(ccc1)cccc2

InChI:

InChI=1/C19H23N/c1-2-13-19(14-6-3-7-15-19)20-18-12-8-10-16-9-4-5-11-17(16)18/h2,4-5,8-12,20H,1,3,6-7,13-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.509 kcal/mol

Physical Properties
Molecular Weight: 265.4 g/mol	logS: -5.22196	SlogP: 5.5307	Reactive groups: 0

Topological Properties
Globularity: 0.293272	Sterimol/B1: 2.097	Sterimol/B2: 2.5149	Sterimol/B3: 6.09769
Sterimol/B4: 7.79661	Sterimol/L: 12.384

Surface and Volume Properties
Accessible surface: 501.531	Positive charged surface: 308.702	Negative charged surface: 183.958	Volume: 289
Hydrophobic surface: 458.176	Hydrophilic surface: 43.355

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

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Ions/Tautomers related molecules: no related molecules available.