MMsINC Database Search


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MMsINC code: MMs02213632

Type: Ionized
Formula: C₁₅H₉O₂-

SMILES:

O=C([O-])c1cc2c(cc1)cc1c(c2)cccc1

InChI:

InChI=1/C15H10O2/c16-15(17)13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)9-13/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)=55.2924 kcal/mol

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

Topological Properties
Globularity: 9.36713e-09	Sterimol/B1: 2.09734	Sterimol/B2: 2.0975	Sterimol/B3: 3.85068
Sterimol/B4: 4.53172	Sterimol/L: 14.0986

Surface and Volume Properties
Accessible surface: 422.976	Positive charged surface: 174.399	Negative charged surface: 226.435	Volume: 211.875
Hydrophobic surface: 335.715	Hydrophilic surface: 87.261

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:

MMs02213631
NCID-ZINC00164010