MMsINC Database Search


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MMsINC code: MMs03894477

Type: Neutral
Formula: C₁₈H₁₆N₂

SMILES:

n1cc(cc2c1cccc2)CN1CCc2c1cccc2

InChI:

InChI=1/C18H16N2/c1-3-7-17-16(6-1)11-14(12-19-17)13-20-10-9-15-5-2-4-8-18(15)20/h1-8,11-12H,9-10,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.904 kcal/mol

Physical Properties
Molecular Weight: 260.34 g/mol	logS: -3.8526	SlogP: 4.06387	Reactive groups: 0

Topological Properties
Globularity: 0.0649954	Sterimol/B1: 2.48135	Sterimol/B2: 3.60157	Sterimol/B3: 4.10886
Sterimol/B4: 6.12711	Sterimol/L: 13.9882

Surface and Volume Properties
Accessible surface: 479.928	Positive charged surface: 310.162	Negative charged surface: 166.747	Volume: 268
Hydrophobic surface: 440.068	Hydrophilic surface: 39.86

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.