MMsINC Database Search


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MMsINC code: MMs02278300

Type: Neutral
Formula: C₂₁H₁₉N

SMILES:

N(C=C(c1ccccc1)c1ccccc1)(C)c1ccccc1

InChI:

InChI=1/C21H19N/c1-22(20-15-9-4-10-16-20)17-21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-17H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.358 kcal/mol

Physical Properties
Molecular Weight: 285.39 g/mol	logS: -5.13025	SlogP: 5.02949	Reactive groups: 0

Topological Properties
Globularity: 0.183244	Sterimol/B1: 2.45181	Sterimol/B2: 5.44744	Sterimol/B3: 5.71523
Sterimol/B4: 5.77654	Sterimol/L: 14.5093

Surface and Volume Properties
Accessible surface: 539.164	Positive charged surface: 322.142	Negative charged surface: 217.021	Volume: 309.5
Hydrophobic surface: 539.164	Hydrophilic surface: 0

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.