MMsINC Database Search


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MMsINC code: MMs01948526

Type: Neutral
Formula: C₁₈H₁₄N₂O₃

SMILES:

O=C/1N(C(=O)C\C\1=C/c1cccnc1)c1ccc(cc1)C(=O)C

InChI:

InChI=1/C18H14N2O3/c1-12(21)14-4-6-16(7-5-14)20-17(22)10-15(18(20)23)9-13-3-2-8-19-11-13/h2-9,11H,10H2,1H3/b15-9-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.143 kcal/mol

Physical Properties
Molecular Weight: 306.321 g/mol	logS: -3.23649	SlogP: 2.6311	Reactive groups: 0

Topological Properties
Globularity: 0.0659472	Sterimol/B1: 2.38689	Sterimol/B2: 4.28214	Sterimol/B3: 4.33136
Sterimol/B4: 5.97809	Sterimol/L: 15.8461

Surface and Volume Properties
Accessible surface: 535.96	Positive charged surface: 330.244	Negative charged surface: 205.716	Volume: 285.5
Hydrophobic surface: 421.269	Hydrophilic surface: 114.691

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.