MMsINC Database Search


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MMsINC code: MMs00846669

Type: Neutral
Formula: C₁₈H₂₀N₂

SMILES:

N1(CCc2c1cccc2)CCN1CCc2c1cccc2

InChI:

InChI=1/C18H20N2/c1-3-7-17-15(5-1)9-11-19(17)13-14-20-12-10-16-6-2-4-8-18(16)20/h1-8H,9-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=184.728 kcal/mol

Physical Properties
Molecular Weight: 264.372 g/mol	logS: -3.40178	SlogP: 3.11174	Reactive groups: 0

Topological Properties
Globularity: 0.340217	Sterimol/B1: 2.49285	Sterimol/B2: 3.20194	Sterimol/B3: 6.12942
Sterimol/B4: 6.26821	Sterimol/L: 11.8169

Surface and Volume Properties
Accessible surface: 502.261	Positive charged surface: 347.746	Negative charged surface: 154.516	Volume: 278.25
Hydrophobic surface: 467.564	Hydrophilic surface: 34.697

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.