MMsINC Database Search


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MMsINC code: MMs00616161

Type: Ionized
Formula: C₁₆H₁₅N₂O₅-

SMILES:

O(C)c1cc(C(=O)[O-])c(NC(=O)Nc2ccccc2)cc1OC

InChI:

InChI=1/C16H16N2O5/c1-22-13-8-11(15(19)20)12(9-14(13)23-2)18-16(21)17-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,19,20)(H2,17,18,21)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.1485 kcal/mol

Physical Properties
Molecular Weight: 315.305 g/mol	logS: -3.58266	SlogP: 1.7113	Reactive groups: 0

Topological Properties
Globularity: 0.00496545	Sterimol/B1: 2.38969	Sterimol/B2: 2.3908	Sterimol/B3: 5.01404
Sterimol/B4: 6.57641	Sterimol/L: 17.767

Surface and Volume Properties
Accessible surface: 557.189	Positive charged surface: 358.123	Negative charged surface: 199.066	Volume: 288.875
Hydrophobic surface: 422.647	Hydrophilic surface: 134.542

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 2	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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Parent related molecule:

MMs00616160
CHEMBRIDGE-ZINC00441407