MMsINC Database Search


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MMsINC code: MMs01302917

Type: Ionized
Formula: C₁₈H₁₃N₂O₅-

SMILES:

O=C1N(CC(=O)N(C)c2ccccc2C(=O)[O-])C(=O)c2c1cccc2

InChI:

InChI=1/C18H14N2O5/c1-19(14-9-5-4-8-13(14)18(24)25)15(21)10-20-16(22)11-6-2-3-7-12(11)17(20)23/h2-9H,10H2,1H3,(H,24,25)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.7985 kcal/mol

Physical Properties
Molecular Weight: 337.311 g/mol	logS: -4.05502	SlogP: 0.3091	Reactive groups: 0

Topological Properties
Globularity: 0.0835072	Sterimol/B1: 2.31663	Sterimol/B2: 2.98728	Sterimol/B3: 5.12005
Sterimol/B4: 6.94255	Sterimol/L: 16.0371

Surface and Volume Properties
Accessible surface: 547.038	Positive charged surface: 275.151	Negative charged surface: 271.886	Volume: 301.25
Hydrophobic surface: 373.134	Hydrophilic surface: 173.904

Pharmacophoric Properties
Hydrogen bond donors: 0	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:

MMs01302916
ENAMINE-ZINC03195975