MMsINC Database Search


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MMsINC code: MMs00183255

Type: Neutral
Formula: C₂₃H₁₇NO₄

SMILES:

O1c2c(C=C(c3cc(NC(=O)c4ccccc4OC)ccc3)C1=O)cccc2

InChI:

InChI=1/C23H17NO4/c1-27-21-12-5-3-10-18(21)22(25)24-17-9-6-8-15(13-17)19-14-16-7-2-4-11-20(16)28-23(19)26/h2-14H,1H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.928 kcal/mol

Physical Properties
Molecular Weight: 371.392 g/mol	logS: -6.56886	SlogP: 4.4071	Reactive groups: 0

Topological Properties
Globularity: 0.0597531	Sterimol/B1: 2.07891	Sterimol/B2: 2.55985	Sterimol/B3: 4.77724
Sterimol/B4: 9.72425	Sterimol/L: 17.7598

Surface and Volume Properties
Accessible surface: 633.54	Positive charged surface: 377.853	Negative charged surface: 255.687	Volume: 351.5
Hydrophobic surface: 551.548	Hydrophilic surface: 81.992

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.