MMsINC Database Search


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MMsINC code: MMs00120805

Type: Neutral
Formula: C₁₆H₁₄N₂O₃

SMILES:

o1cccc1CNC(=O)c1c(noc1C)-c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.3668 kcal/mol

Physical Properties
Molecular Weight: 282.299 g/mol	logS: -4.4054	SlogP: 3.43942	Reactive groups: 0

Topological Properties
Globularity: 0.0731781	Sterimol/B1: 2.46581	Sterimol/B2: 2.95219	Sterimol/B3: 4.06858
Sterimol/B4: 9.35154	Sterimol/L: 14.5307

Surface and Volume Properties
Accessible surface: 520.386	Positive charged surface: 257.392	Negative charged surface: 262.995	Volume: 268.75
Hydrophobic surface: 440.631	Hydrophilic surface: 79.755

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.