MMsINC Database Search


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MMsINC code: MMs02392797

Type: Ionized
Formula: C₂₆H₁₇O₂-

SMILES:

O=C1c2c(cccc2)C(c2c1cccc2)(c1ccc([O-])cc1)c1ccccc1

InChI:

InChI=1/C26H18O2/c27-20-16-14-19(15-17-20)26(18-8-2-1-3-9-18)23-12-6-4-10-21(23)25(28)22-11-5-7-13-24(22)26/h1-17,27H/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.184 kcal/mol

Physical Properties
Molecular Weight: 361.42 g/mol	logS: -7.11199	SlogP: 5.7575	Reactive groups: 0

Topological Properties
Globularity: 0.875096	Sterimol/B1: 2.4272	Sterimol/B2: 3.26792	Sterimol/B3: 8.39023
Sterimol/B4: 8.83272	Sterimol/L: 12.9955

Surface and Volume Properties
Accessible surface: 578.796	Positive charged surface: 288.977	Negative charged surface: 289.819	Volume: 357.25
Hydrophobic surface: 509.291	Hydrophilic surface: 69.505

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 1	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: 0

search links for this molecule:

Parent related molecule:

MMs02392796
NCID-ZINC04683139