MMsINC Database Search


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MMsINC code: MMs02648260

Type: Neutral
Formula: C₁₆H₁₄N₂O₃

SMILES:

O1c2c(cccc2)C(Nc2ccc(OC)cc2)=C(N)C1=O

InChI:

InChI=1/C16H14N2O3/c1-20-11-8-6-10(7-9-11)18-15-12-4-2-3-5-13(12)21-16(19)14(15)17/h2-9,18H,17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.911 kcal/mol

Physical Properties
Molecular Weight: 282.299 g/mol	logS: -4.23464	SlogP: 2.3536	Reactive groups: 0

Topological Properties
Globularity: 0.161181	Sterimol/B1: 2.38888	Sterimol/B2: 4.69776	Sterimol/B3: 5.07098
Sterimol/B4: 6.09733	Sterimol/L: 13.314

Surface and Volume Properties
Accessible surface: 500.051	Positive charged surface: 321.918	Negative charged surface: 178.134	Volume: 262.625
Hydrophobic surface: 361.477	Hydrophilic surface: 138.574

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.