MMsINC Database Search


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MMsINC code: MMs00366804

Type: Neutral
Formula: C₂₀H₁₈N₂O₄

SMILES:

O1CCN(CC1)CC(=O)Nc1c2c(ccc1)C(=O)c1c(cccc1)C2=O

InChI:

InChI=1/C20H18N2O4/c23-17(12-22-8-10-26-11-9-22)21-16-7-3-6-15-18(16)20(25)14-5-2-1-4-13(14)19(15)24/h1-7H,8-12H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.611 kcal/mol

Physical Properties
Molecular Weight: 350.374 g/mol	logS: -4.27646	SlogP: 1.7327	Reactive groups: 0

Topological Properties
Globularity: 0.0456521	Sterimol/B1: 3.4984	Sterimol/B2: 3.69611	Sterimol/B3: 3.80448
Sterimol/B4: 7.74695	Sterimol/L: 17.4363

Surface and Volume Properties
Accessible surface: 584.605	Positive charged surface: 395.506	Negative charged surface: 189.099	Volume: 320
Hydrophobic surface: 479.308	Hydrophilic surface: 105.297

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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

MMs00366805
ASINEX-ZINC04728993