MMsINC Database Search


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MMsINC code: MMs00904847

Type: Neutral
Formula: C₁₇H₁₄N₂O₅

SMILES:

OC(=O)c1cc(NC(=O)C(=O)c2ccccc2NC(=O)C)ccc1

InChI:

InChI=1/C17H14N2O5/c1-10(20)18-14-8-3-2-7-13(14)15(21)16(22)19-12-6-4-5-11(9-12)17(23)24/h2-9H,1H3,(H,18,20)(H,19,22)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.089 kcal/mol

Physical Properties
Molecular Weight: 326.308 g/mol	logS: -3.86507	SlogP: 2.1646	Reactive groups: 0

Topological Properties
Globularity: 0.0263365	Sterimol/B1: 2.21826	Sterimol/B2: 2.45772	Sterimol/B3: 3.6086
Sterimol/B4: 7.86043	Sterimol/L: 16.4454

Surface and Volume Properties
Accessible surface: 556.519	Positive charged surface: 315.531	Negative charged surface: 240.988	Volume: 291.5
Hydrophobic surface: 357.803	Hydrophilic surface: 198.716

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs00904848
CHEMDIV-ZINC03028851