MMsINC Database Search


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MMsINC code: MMs03168927

Type: Neutral
Formula: C₁₉H₁₉N

SMILES:

n1ccc2c(cc(C)c(c2)C)c1Cc1ccc(cc1)C

InChI:

InChI=1/C19H19N/c1-13-4-6-16(7-5-13)12-19-18-11-15(3)14(2)10-17(18)8-9-20-19/h4-11H,12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.3465 kcal/mol

Physical Properties
Molecular Weight: 261.368 g/mol	logS: -5.38223	SlogP: 4.75083	Reactive groups: 0

Topological Properties
Globularity: 0.123494	Sterimol/B1: 2.12373	Sterimol/B2: 3.00536	Sterimol/B3: 5.23101
Sterimol/B4: 7.53072	Sterimol/L: 14.2152

Surface and Volume Properties
Accessible surface: 526.232	Positive charged surface: 322.7	Negative charged surface: 192.245	Volume: 282.25
Hydrophobic surface: 518.686	Hydrophilic surface: 7.5459999999999

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: no related molecules available.