MMsINC Database Search


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MMsINC code: MMs01742693

Type: Neutral
Formula: C₁₉H₁₄N₂O₂

SMILES:

O=C1N(NC(=O)c2c1cccc2)Cc1c2c(ccc1)cccc2

InChI:

InChI=1/C19H14N2O2/c22-18-16-10-3-4-11-17(16)19(23)21(20-18)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.1632 kcal/mol

Physical Properties
Molecular Weight: 302.333 g/mol	logS: -5.47769	SlogP: 3.407	Reactive groups: 0

Topological Properties
Globularity: 0.128964	Sterimol/B1: 2.59778	Sterimol/B2: 2.90386	Sterimol/B3: 4.94851
Sterimol/B4: 7.08644	Sterimol/L: 13.8064

Surface and Volume Properties
Accessible surface: 507.7	Positive charged surface: 269.022	Negative charged surface: 228.366	Volume: 284.125
Hydrophobic surface: 418.388	Hydrophilic surface: 89.312

Pharmacophoric Properties
Hydrogen bond donors: 1	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.