MMsINC Database Search


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MMsINC code: MMs01984595

Type: Neutral
Formula: C₂₀H₁₉N

SMILES:

N(C(c1ccccc1)c1ccccc1)c1ccc(cc1)C

InChI:

InChI=1/C20H19N/c1-16-12-14-19(15-13-16)21-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,20-21H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.2286 kcal/mol

Physical Properties
Molecular Weight: 273.379 g/mol	logS: -5.19106	SlogP: 5.29202	Reactive groups: 0

Topological Properties
Globularity: 0.178387	Sterimol/B1: 3.52552	Sterimol/B2: 3.70809	Sterimol/B3: 4.56521
Sterimol/B4: 6.98126	Sterimol/L: 14.7241

Surface and Volume Properties
Accessible surface: 545.365	Positive charged surface: 305.236	Negative charged surface: 240.13	Volume: 297.5
Hydrophobic surface: 538.881	Hydrophilic surface: 6.484

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.