MMsINC Database Search


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MMsINC code: MMs01342819

Type: Neutral
Formula: C₂₀H₁₄N₂O₅

SMILES:

O=C1N(CCOC(=O)C2=CC(=O)Nc3c2cccc3)C(=O)c2c1cccc2

InChI:

InChI=1/C20H14N2O5/c23-17-11-15(12-5-3-4-8-16(12)21-17)20(26)27-10-9-22-18(24)13-6-1-2-7-14(13)19(22)25/h1-8,11H,9-10H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.947 kcal/mol

Physical Properties
Molecular Weight: 362.341 g/mol	logS: -4.97714	SlogP: 1.8615	Reactive groups: 0

Topological Properties
Globularity: 0.0842072	Sterimol/B1: 2.44519	Sterimol/B2: 3.82611	Sterimol/B3: 5.17204
Sterimol/B4: 6.01631	Sterimol/L: 16.4218

Surface and Volume Properties
Accessible surface: 585.812	Positive charged surface: 321.247	Negative charged surface: 264.565	Volume: 320
Hydrophobic surface: 422.171	Hydrophilic surface: 163.641

Pharmacophoric Properties
Hydrogen bond donors: 1	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.