MMsINC Database Search


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MMsINC code: MMs03541439

Type: Ionized
Formula: C₂₄H₁₅O₂-

SMILES:

O=C([O-])c1ccccc1Cc1c2c3c(-c4c(-c3ccc2)cccc4)cc1

InChI:

InChI=1/C24H16O2/c25-24(26)18-7-2-1-6-15(18)14-16-12-13-22-20-9-4-3-8-19(20)21-11-5-10-17(16)23(21)22/h1-13H,14H2,(H,25,26)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.288 kcal/mol

Physical Properties
Molecular Weight: 335.382 g/mol	logS: -8.81625	SlogP: 4.44147	Reactive groups: 0

Topological Properties
Globularity: 0.107463	Sterimol/B1: 2.36556	Sterimol/B2: 3.21752	Sterimol/B3: 6.35361
Sterimol/B4: 6.57906	Sterimol/L: 15.5027

Surface and Volume Properties
Accessible surface: 564.849	Positive charged surface: 253.851	Negative charged surface: 278.191	Volume: 329.75
Hydrophobic surface: 491.663	Hydrophilic surface: 73.186

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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:

MMs03541438
PUBCHEM-ZINC06095363