MMsINC Database Search


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MMsINC code: MMs02323792

Type: Neutral
Formula: C₁₉H₂₁N

SMILES:

[nH]1c2c(cc(cc2)C(C)(C)c2ccccc2)c(C)c1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.2716 kcal/mol

Physical Properties
Molecular Weight: 263.384 g/mol	logS: -5.29546	SlogP: 5.11064	Reactive groups: 0

Topological Properties
Globularity: 0.164999	Sterimol/B1: 2.76614	Sterimol/B2: 3.09808	Sterimol/B3: 5.51815
Sterimol/B4: 6.87089	Sterimol/L: 13.1385

Surface and Volume Properties
Accessible surface: 514.26	Positive charged surface: 315.12	Negative charged surface: 193.729	Volume: 287.25
Hydrophobic surface: 455.058	Hydrophilic surface: 59.202

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.