MMsINC Database Search


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MMsINC code: MMs00363913

Type: Neutral
Formula: C₁₈H₁₄N₂O₄

SMILES:

O=C1c2c(cccc2NC(=O)C)C(=O)c2c1cccc2NC(=O)C

InChI:

InChI=1/C18H14N2O4/c1-9(21)19-13-7-3-5-11-15(13)17(23)12-6-4-8-14(20-10(2)22)16(12)18(11)24/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)=113.801 kcal/mol

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

Topological Properties
Globularity: 0.0118438	Sterimol/B1: 2.43734	Sterimol/B2: 2.77574	Sterimol/B3: 4.26145
Sterimol/B4: 6.77494	Sterimol/L: 16.6717

Surface and Volume Properties
Accessible surface: 530.472	Positive charged surface: 293.665	Negative charged surface: 236.807	Volume: 285.75
Hydrophobic surface: 392.471	Hydrophilic surface: 138.001

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.