MMsINC Database Search


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MMsINC code: MMs00765001

Type: Neutral
Formula: C₂₀H₁₆N₂

SMILES:

n1c2c(cccc2C)c(Nc2ccccc2)c2c1cccc2

InChI:

InChI=1/C20H16N2/c1-14-8-7-12-17-19(14)22-18-13-6-5-11-16(18)20(17)21-15-9-3-2-4-10-15/h2-13H,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.4371 kcal/mol

Physical Properties
Molecular Weight: 284.362 g/mol	logS: -5.60089	SlogP: 5.44002	Reactive groups: 0

Topological Properties
Globularity: 0.136741	Sterimol/B1: 3.78381	Sterimol/B2: 4.1437	Sterimol/B3: 4.29942
Sterimol/B4: 7.93095	Sterimol/L: 13.6943

Surface and Volume Properties
Accessible surface: 523.855	Positive charged surface: 300.758	Negative charged surface: 217.631	Volume: 291.125
Hydrophobic surface: 490.649	Hydrophilic surface: 33.206

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.