MMsINC Database Search


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MMsINC code: MMs02407523

Type: Neutral
Formula: C₁₆H₁₈N₂

SMILES:

N(=Nc1cc(ccc1C)C)c1cc(ccc1C)C

InChI:

InChI=1/C16H18N2/c1-11-5-7-13(3)15(9-11)17-18-16-10-12(2)6-8-14(16)4/h5-10H,1-4H3/b18-17+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.2038 kcal/mol

Physical Properties
Molecular Weight: 238.334 g/mol	logS: -4.54646	SlogP: 5.33568	Reactive groups: 0

Topological Properties
Globularity: 0.0147897	Sterimol/B1: 2.51263	Sterimol/B2: 2.51965	Sterimol/B3: 3.22518
Sterimol/B4: 7.3098	Sterimol/L: 14.0698

Surface and Volume Properties
Accessible surface: 510.057	Positive charged surface: 301.959	Negative charged surface: 208.099	Volume: 261.375
Hydrophobic surface: 510.057	Hydrophilic surface: 0

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.