MMsINC Database Search


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MMsINC code: MMs02214378

Type: Ionized
Formula: C₁₅H₉O₂-

SMILES:

O=C([O-])c1cc2c3c(ccc2cc1)cccc3

InChI:

InChI=1/C15H10O2/c16-15(17)12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9H,(H,16,17)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.5396 kcal/mol

Physical Properties
Molecular Weight: 221.235 g/mol	logS: -5.37049	SlogP: 2.3565	Reactive groups: 0

Topological Properties
Globularity: 1.07914e-08	Sterimol/B1: 2.09732	Sterimol/B2: 2.09741	Sterimol/B3: 3.85562
Sterimol/B4: 5.76347	Sterimol/L: 13.2531

Surface and Volume Properties
Accessible surface: 415.583	Positive charged surface: 169.289	Negative charged surface: 224.152	Volume: 213.75
Hydrophobic surface: 325.918	Hydrophilic surface: 89.665

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:

MMs02214377
NCID-ZINC00345518