MMsINC Database Search


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MMsINC code: MMs02360285

Type: Neutral
Formula: C₁₉H₁₄N₂

SMILES:

n1c2c(ccc1Cc1nc3c(cc1)cccc3)cccc2

InChI:

InChI=1/C19H14N2/c1-3-7-18-14(5-1)9-11-16(20-18)13-17-12-10-15-6-2-4-8-19(15)21-17/h1-12H,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.4893 kcal/mol

Physical Properties
Molecular Weight: 270.335 g/mol	logS: -4.67073	SlogP: 4.37377	Reactive groups: 0

Topological Properties
Globularity: 0.167191	Sterimol/B1: 2.35571	Sterimol/B2: 3.57028	Sterimol/B3: 4.33844
Sterimol/B4: 6.31985	Sterimol/L: 14.2771

Surface and Volume Properties
Accessible surface: 523.578	Positive charged surface: 291.3	Negative charged surface: 221.533	Volume: 271.5
Hydrophobic surface: 502.321	Hydrophilic surface: 21.257

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.