MMsINC Database Search


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MMsINC code: MMs02352043

Type: Neutral
Formula: C₁₉H₁₄N₂

SMILES:

[nH]1c2c(cccc2)c(c1-c1ccccc1)-c1ncccc1

InChI:

InChI=1/C19H14N2/c1-2-8-14(9-3-1)19-18(17-12-6-7-13-20-17)15-10-4-5-11-16(15)21-19/h1-13,21H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.2111 kcal/mol

Physical Properties
Molecular Weight: 270.335 g/mol	logS: -5.207	SlogP: 4.8969	Reactive groups: 0

Topological Properties
Globularity: 0.0687804	Sterimol/B1: 2.8199	Sterimol/B2: 3.11642	Sterimol/B3: 3.63068
Sterimol/B4: 8.0015	Sterimol/L: 13.8193

Surface and Volume Properties
Accessible surface: 500.146	Positive charged surface: 287.719	Negative charged surface: 207.857	Volume: 276
Hydrophobic surface: 468.394	Hydrophilic surface: 31.752

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.