MMsINC Database Search


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MMsINC code: MMs02215871

Type: Neutral
Formula: C₁₉H₁₄N₂O₄

SMILES:

O=C1N(CCCN2C(=O)c3c(cccc3)C2=O)C(=O)c2c1cccc2

InChI:

InChI=1/C19H14N2O4/c22-16-12-6-1-2-7-13(12)17(23)20(16)10-5-11-21-18(24)14-8-3-4-9-15(14)19(21)25/h1-4,6-9H,5,10-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.5615 kcal/mol

Physical Properties
Molecular Weight: 334.331 g/mol	logS: -4.48069	SlogP: 1.9689	Reactive groups: 0

Topological Properties
Globularity: 0.0996299	Sterimol/B1: 2.10472	Sterimol/B2: 3.2916	Sterimol/B3: 4.7038
Sterimol/B4: 5.60556	Sterimol/L: 16.8734

Surface and Volume Properties
Accessible surface: 576.293	Positive charged surface: 308.499	Negative charged surface: 267.794	Volume: 301.125
Hydrophobic surface: 421.284	Hydrophilic surface: 155.009

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.