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MMsINC code: MMs03131109

Type: Neutral
Formula: C₁₈H₁₉NO₅

SMILES:

O(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(O)C(O)=O

InChI:

InChI=1/C18H19NO5/c20-16(17(21)22)15(11-13-7-3-1-4-8-13)19-18(23)24-12-14-9-5-2-6-10-14/h1-10,15-16,20H,11-12H2,(H,19,23)(H,21,22)/t15-,16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.5371 kcal/mol

Physical Properties
Molecular Weight: 329.352 g/mol	logS: -3.2305	SlogP: 2.23597	Reactive groups: 0

Topological Properties
Globularity: 0.076096	Sterimol/B1: 2.52319	Sterimol/B2: 3.13672	Sterimol/B3: 3.72621
Sterimol/B4: 9.65055	Sterimol/L: 14.6346

Surface and Volume Properties
Accessible surface: 585.394	Positive charged surface: 325.605	Negative charged surface: 259.789	Volume: 309.375
Hydrophobic surface: 436.197	Hydrophilic surface: 149.197

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs03131110
PUBCHEM-ZINC04535954