MMsINC Database Search


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MMsINC code: MMs00601420

Type: Neutral
Formula: C₁₈H₁₄N₂O₂

SMILES:

O=C(N)c1ccccc1NC(=O)c1cc2c(cc1)cccc2

InChI:

InChI=1/C18H14N2O2/c19-17(21)15-7-3-4-8-16(15)20-18(22)14-10-9-12-5-1-2-6-13(12)11-14/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)=86.2712 kcal/mol

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

Topological Properties
Globularity: 0.0149518	Sterimol/B1: 2.54454	Sterimol/B2: 2.73787	Sterimol/B3: 4.51443
Sterimol/B4: 5.20764	Sterimol/L: 16.2578

Surface and Volume Properties
Accessible surface: 521.237	Positive charged surface: 277.904	Negative charged surface: 232.262	Volume: 277
Hydrophobic surface: 401.702	Hydrophilic surface: 119.535

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.