MMsINC Database Search


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MMsINC code: MMs02346681

Type: Neutral
Formula: C₁₉H₂₁N

SMILES:

n1(c2c(cccc2)c(C)c1C(C)(C)c1ccccc1)C

InChI:

InChI=1/C19H21N/c1-14-16-12-8-9-13-17(16)20(4)18(14)19(2,3)15-10-6-5-7-11-15/h5-13H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.659 kcal/mol

Physical Properties
Molecular Weight: 263.384 g/mol	logS: -4.08865	SlogP: 5.17182	Reactive groups: 0

Topological Properties
Globularity: 0.20328	Sterimol/B1: 2.05944	Sterimol/B2: 2.99308	Sterimol/B3: 4.94643
Sterimol/B4: 6.83958	Sterimol/L: 14.0273

Surface and Volume Properties
Accessible surface: 490.297	Positive charged surface: 291.681	Negative charged surface: 193.478	Volume: 284.5
Hydrophobic surface: 460.961	Hydrophilic surface: 29.336

Pharmacophoric Properties
Hydrogen bond donors: 0	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.