MMsINC Database Search


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MMsINC code: MMs02365851

Type: Neutral
Formula: C₁₅H₁₆N₂

SMILES:

N(=C\Nc1ccccc1C)/c1ccccc1C

InChI:

InChI=1/C15H16N2/c1-12-7-3-5-9-14(12)16-11-17-15-10-6-4-8-13(15)2/h3-11H,1-2H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.6021 kcal/mol

Physical Properties
Molecular Weight: 224.307 g/mol	logS: -3.72282	SlogP: 4.07534	Reactive groups: 0

Topological Properties
Globularity: 0.0848761	Sterimol/B1: 2.45584	Sterimol/B2: 2.84759	Sterimol/B3: 4.26963
Sterimol/B4: 5.70818	Sterimol/L: 13.9653

Surface and Volume Properties
Accessible surface: 467.617	Positive charged surface: 289.488	Negative charged surface: 178.129	Volume: 241.75
Hydrophobic surface: 436.043	Hydrophilic surface: 31.574

Pharmacophoric Properties
Hydrogen bond donors: 1	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.