MMsINC Database Search


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MMsINC code: MMs02401792

Type: Neutral
Formula: C₁₅H₁₆N₂

SMILES:

N(=Nc1ccccc1C)c1c(cccc1C)C

InChI:

InChI=1/C15H16N2/c1-11-7-4-5-10-14(11)16-17-15-12(2)8-6-9-13(15)3/h4-10H,1-3H3/b17-16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.8384 kcal/mol

Physical Properties
Molecular Weight: 224.307 g/mol	logS: -3.75909	SlogP: 5.02726	Reactive groups: 0

Topological Properties
Globularity: 0.079942	Sterimol/B1: 2.35093	Sterimol/B2: 2.55031	Sterimol/B3: 4.42421
Sterimol/B4: 6.53509	Sterimol/L: 13.8855

Surface and Volume Properties
Accessible surface: 469.575	Positive charged surface: 270.948	Negative charged surface: 198.627	Volume: 242.75
Hydrophobic surface: 469.575	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.