MMsINC Database Search


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MMsINC code: MMs00180739

Type: Neutral
Formula: C₁₈H₁₄N₂O₂

SMILES:

O=C(Nc1ccc(cc1)C(=O)N)c1c2c(ccc1)cccc2

InChI:

InChI=1/C18H14N2O2/c19-17(21)13-8-10-14(11-9-13)20-18(22)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H2,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.8137 kcal/mol

Physical Properties
Molecular Weight: 290.322 g/mol	logS: -5.48487	SlogP: 3.191	Reactive groups: 0

Topological Properties
Globularity: 0.0164564	Sterimol/B1: 2.42568	Sterimol/B2: 2.95358	Sterimol/B3: 3.10884
Sterimol/B4: 7.0412	Sterimol/L: 16.4129

Surface and Volume Properties
Accessible surface: 522.314	Positive charged surface: 274.043	Negative charged surface: 237.89	Volume: 276.25
Hydrophobic surface: 389.691	Hydrophilic surface: 132.623

Pharmacophoric Properties
Hydrogen bond donors: 2	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.