MMsINC Database Search


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MMsINC code: MMs03419361

Type: Neutral
Formula: C₁₇H₁₄N₂O₃

SMILES:

O(C)c1ccc(\N=C\2/c3c(N(C(=O)C)C/2=O)cccc3)cc1

InChI:

InChI=1/C17H14N2O3/c1-11(20)19-15-6-4-3-5-14(15)16(17(19)21)18-12-7-9-13(22-2)10-8-12/h3-10H,1-2H3/b18-16-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.984 kcal/mol

Physical Properties
Molecular Weight: 294.31 g/mol	logS: -4.29841	SlogP: 2.7091	Reactive groups: 0

Topological Properties
Globularity: 0.0350679	Sterimol/B1: 2.51015	Sterimol/B2: 2.54686	Sterimol/B3: 3.46124
Sterimol/B4: 8.04112	Sterimol/L: 15.9877

Surface and Volume Properties
Accessible surface: 517.499	Positive charged surface: 325.643	Negative charged surface: 191.856	Volume: 274
Hydrophobic surface: 445.369	Hydrophilic surface: 72.13

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.