MMsINC Database Search


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MMsINC code: MMs02657653

Type: Neutral
Formula: C₁₈H₁₄N₂O₂

SMILES:

O=C(N)c1ccccc1NC(=O)c1c2c(ccc1)cccc2

InChI:

InChI=1/C18H14N2O2/c19-17(21)15-9-3-4-11-16(15)20-18(22)14-10-5-7-12-6-1-2-8-13(12)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)=96.5906 kcal/mol

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

Topological Properties
Globularity: 0.0256179	Sterimol/B1: 2.36622	Sterimol/B2: 3.30467	Sterimol/B3: 3.57242
Sterimol/B4: 6.44283	Sterimol/L: 14.5812

Surface and Volume Properties
Accessible surface: 511.246	Positive charged surface: 275.227	Negative charged surface: 224.947	Volume: 276.25
Hydrophobic surface: 398.408	Hydrophilic surface: 112.838

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.