MMsINC Database Search


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MMsINC code: MMs01083295

Type: Neutral
Formula: C₁₈H₁₂N₂O₄

SMILES:

O=C1N(C(=O)CC1)c1cc2c(cc1)C(=O)N(C2=O)c1ccccc1

InChI:

InChI=1/C18H12N2O4/c21-15-8-9-16(22)19(15)12-6-7-13-14(10-12)18(24)20(17(13)23)11-4-2-1-3-5-11/h1-7,10H,8-9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.2558 kcal/mol

Physical Properties
Molecular Weight: 320.304 g/mol	logS: -4.15468	SlogP: 2.1406	Reactive groups: 0

Topological Properties
Globularity: 0.0246048	Sterimol/B1: 3.53631	Sterimol/B2: 3.66509	Sterimol/B3: 3.81954
Sterimol/B4: 5.41034	Sterimol/L: 17.0159

Surface and Volume Properties
Accessible surface: 534.822	Positive charged surface: 276.107	Negative charged surface: 258.715	Volume: 283.5
Hydrophobic surface: 384.304	Hydrophilic surface: 150.518

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.