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MMsINC code: MMs00861073

Type: Neutral
Formula: C₂₄H₁₇NO₄

SMILES:

O(c1c2c(ccc1)cccc2)c1ccc(NC(=O)c2ccccc2C(O)=O)cc1

InChI:

InChI=1/C24H17NO4/c26-23(20-9-3-4-10-21(20)24(27)28)25-17-12-14-18(15-13-17)29-22-11-5-7-16-6-1-2-8-19(16)22/h1-15H,(H,25,26)(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.778 kcal/mol

Physical Properties
Molecular Weight: 383.403 g/mol	logS: -6.98486	SlogP: 5.5826	Reactive groups: 0

Topological Properties
Globularity: 0.0246667	Sterimol/B1: 2.83941	Sterimol/B2: 4.22905	Sterimol/B3: 4.35208
Sterimol/B4: 5.71176	Sterimol/L: 20.2852

Surface and Volume Properties
Accessible surface: 647.571	Positive charged surface: 355.042	Negative charged surface: 283.086	Volume: 359.375
Hydrophobic surface: 534.547	Hydrophilic surface: 113.024

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00861074
CHEMDIV-ZINC00990697