MMsINC Database Search


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MMsINC code: MMs02092164

Type: Neutral
Formula: C₁₈H₁₄N₂O₂

SMILES:

O(C)c1cc2c([nH]cc2\C=C/2\c3c(NC\2=O)cccc3)cc1

InChI:

InChI=1/C18H14N2O2/c1-22-12-6-7-16-14(9-12)11(10-19-16)8-15-13-4-2-3-5-17(13)20-18(15)21/h2-10,19H,1H3,(H,20,21)/b15-8-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.5139 kcal/mol

Physical Properties
Molecular Weight: 290.322 g/mol	logS: -4.33296	SlogP: 3.6692	Reactive groups: 0

Topological Properties
Globularity: 0.0312083	Sterimol/B1: 2.33639	Sterimol/B2: 2.48443	Sterimol/B3: 3.52022
Sterimol/B4: 6.78324	Sterimol/L: 16.207

Surface and Volume Properties
Accessible surface: 527.338	Positive charged surface: 323.131	Negative charged surface: 198.154	Volume: 275.25
Hydrophobic surface: 412.791	Hydrophilic surface: 114.547

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.