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MMsINC code: MMs02937617

Type: Neutral
Formula: C₂₃H₁₉NO₅

SMILES:

O(C(=O)Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C(O)=O)cc1)C

InChI:

InChI=1/C23H19NO5/c1-29-21(25)14-15-10-12-16(13-11-15)24-22(26)19-8-4-2-6-17(19)18-7-3-5-9-20(18)23(27)28/h2-13H,14H2,1H3,(H,24,26)(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.787 kcal/mol

Physical Properties
Molecular Weight: 389.407 g/mol	logS: -6.19385	SlogP: 4.01957	Reactive groups: 1

Topological Properties
Globularity: 0.0963492	Sterimol/B1: 4.15578	Sterimol/B2: 4.70574	Sterimol/B3: 4.88795
Sterimol/B4: 6.77641	Sterimol/L: 17.8114

Surface and Volume Properties
Accessible surface: 651.932	Positive charged surface: 413.468	Negative charged surface: 236.995	Volume: 362.375
Hydrophobic surface: 534.251	Hydrophilic surface: 117.681

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02937618
PUBCHEM-ZINC02849844