MMsINC Database Search


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MMsINC code: MMs03269232

Type: Neutral
Formula: C₁₈H₁₄N₂O₄

SMILES:

O=C1c2c(cccc2NC(=O)C)C(=O)c2c1c(NC(=O)C)ccc2

InChI:

InChI=1/C18H14N2O4/c1-9(21)19-13-7-3-5-11-15(13)18(24)16-12(17(11)23)6-4-8-14(16)20-10(2)22/h3-8H,1-2H3,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.085 kcal/mol

Physical Properties
Molecular Weight: 322.32 g/mol	logS: -4.3039	SlogP: 2.3788	Reactive groups: 0

Topological Properties
Globularity: 0.0193811	Sterimol/B1: 1.969	Sterimol/B2: 2.42515	Sterimol/B3: 2.70751
Sterimol/B4: 9.24898	Sterimol/L: 12.6911

Surface and Volume Properties
Accessible surface: 528.782	Positive charged surface: 289.285	Negative charged surface: 239.496	Volume: 286.875
Hydrophobic surface: 389.271	Hydrophilic surface: 139.511

Pharmacophoric Properties
Hydrogen bond donors: 2	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.