MMsINC Database Search


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MMsINC code: MMs00123094

Type: Neutral
Formula: C₁₇H₂₀N₂

SMILES:

N1(CCN(C1)c1cc(ccc1)C)c1cc(ccc1)C

InChI:

InChI=1/C17H20N2/c1-14-5-3-7-16(11-14)18-9-10-19(13-18)17-8-4-6-15(2)12-17/h3-8,11-12H,9-10,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=186.885 kcal/mol

Physical Properties
Molecular Weight: 252.361 g/mol	logS: -3.83622	SlogP: 3.58754	Reactive groups: 0

Topological Properties
Globularity: 0.0536267	Sterimol/B1: 2.52376	Sterimol/B2: 3.2143	Sterimol/B3: 4.61171
Sterimol/B4: 5.54259	Sterimol/L: 15.8174

Surface and Volume Properties
Accessible surface: 505.278	Positive charged surface: 324.797	Negative charged surface: 180.481	Volume: 270.125
Hydrophobic surface: 478.796	Hydrophilic surface: 26.482

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.