MMsINC Database Search


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MMsINC code: MMs00494377

Type: Neutral
Formula: C₁₅H₁₈N₂

SMILES:

Nc1ccc(cc1C)Cc1cc(C)c(N)cc1

InChI:

InChI=1/C15H18N2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h3-8H,9,16-17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.5272 kcal/mol

Physical Properties
Molecular Weight: 226.323 g/mol	logS: -3.26396	SlogP: 3.05861	Reactive groups: 0

Topological Properties
Globularity: 0.122828	Sterimol/B1: 2.2437	Sterimol/B2: 3.23109	Sterimol/B3: 4.20793
Sterimol/B4: 6.34508	Sterimol/L: 13.1451

Surface and Volume Properties
Accessible surface: 471.797	Positive charged surface: 315.153	Negative charged surface: 156.644	Volume: 243.375
Hydrophobic surface: 368.538	Hydrophilic surface: 103.259

Pharmacophoric Properties
Hydrogen bond donors: 2	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.