MMsINC Database Search


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MMsINC code: MMs03452304

Type: Neutral
Formula: C₁₉H₁₄N₂

SMILES:

n1c2c(cc(cc2)-c2ccccc2)c(N)c2c1cccc2

InChI:

InChI=1/C19H14N2/c20-19-15-8-4-5-9-17(15)21-18-11-10-14(12-16(18)19)13-6-2-1-3-7-13/h1-12H,(H2,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.523 kcal/mol

Physical Properties
Molecular Weight: 270.335 g/mol	logS: -5.96736	SlogP: 4.6372	Reactive groups: 0

Topological Properties
Globularity: 2.99394e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.10386	Sterimol/B3: 3.5963
Sterimol/B4: 5.54699	Sterimol/L: 16.3992

Surface and Volume Properties
Accessible surface: 499.564	Positive charged surface: 245.708	Negative charged surface: 231.713	Volume: 271.375
Hydrophobic surface: 431.588	Hydrophilic surface: 67.976

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.