MMsINC Database Search


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MMsINC code: MMs02992316

Type: Neutral
Formula: C₁₇H₁₈N₂

SMILES:

N(=C\C=C\c1ccccc1)/c1ccc(N(C)C)cc1

InChI:

InChI=1/C17H18N2/c1-19(2)17-12-10-16(11-13-17)18-14-6-9-15-7-4-3-5-8-15/h3-14H,1-2H3/b9-6+,18-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.3838 kcal/mol

Physical Properties
Molecular Weight: 250.345 g/mol	logS: -3.74285	SlogP: 4.1683	Reactive groups: 0

Topological Properties
Globularity: 0.015766	Sterimol/B1: 2.56926	Sterimol/B2: 3.21639	Sterimol/B3: 3.43478
Sterimol/B4: 4.58437	Sterimol/L: 18.6439

Surface and Volume Properties
Accessible surface: 536.41	Positive charged surface: 350.307	Negative charged surface: 186.103	Volume: 272.5
Hydrophobic surface: 513.084	Hydrophilic surface: 23.326

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.