MMsINC Database Search


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MMsINC code: MMs01625105

Type: Neutral
Formula: C₁₈H₁₄N₂O₂

SMILES:

O(c1ccc(NC(=O)c2ncccc2)cc1)c1ccccc1

InChI:

InChI=1/C18H14N2O2/c21-18(17-8-4-5-13-19-17)20-14-9-11-16(12-10-14)22-15-6-2-1-3-7-15/h1-13H,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.8681 kcal/mol

Physical Properties
Molecular Weight: 290.322 g/mol	logS: -4.03236	SlogP: 4.1262	Reactive groups: 0

Topological Properties
Globularity: 0.0604535	Sterimol/B1: 2.21804	Sterimol/B2: 2.46508	Sterimol/B3: 4.9436
Sterimol/B4: 5.23332	Sterimol/L: 18.275

Surface and Volume Properties
Accessible surface: 544.403	Positive charged surface: 320.576	Negative charged surface: 223.827	Volume: 282.125
Hydrophobic surface: 486.292	Hydrophilic surface: 58.111

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.