MMsINC Database Search


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MMsINC code: MMs02820129

Type: Neutral
Formula: C₁₉H₁₇N

SMILES:

N(Cc1ccccc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H17N/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.5702 kcal/mol

Physical Properties
Molecular Weight: 259.352 g/mol	logS: -4.90405	SlogP: 5.2913	Reactive groups: 0

Topological Properties
Globularity: 0.206432	Sterimol/B1: 2.80625	Sterimol/B2: 3.32219	Sterimol/B3: 4.49743
Sterimol/B4: 8.63069	Sterimol/L: 12.1372

Surface and Volume Properties
Accessible surface: 498.041	Positive charged surface: 288.704	Negative charged surface: 209.337	Volume: 279.375
Hydrophobic surface: 489.754	Hydrophilic surface: 8.287

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.