MMsINC Database Search


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MMsINC code: MMs02401806

Type: Ionized
Formula: C₁₄H₁₁O₃-

SMILES:

O(c1ccccc1C(=O)[O-])c1ccccc1C

InChI:

InChI=1/C14H12O3/c1-10-6-2-4-8-12(10)17-13-9-5-3-7-11(13)14(15)16/h2-9H,1H3,(H,15,16)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.0267 kcal/mol

Physical Properties
Molecular Weight: 227.239 g/mol	logS: -3.55791	SlogP: 2.15082	Reactive groups: 0

Topological Properties
Globularity: 0.193275	Sterimol/B1: 2.25294	Sterimol/B2: 2.6096	Sterimol/B3: 5.40457
Sterimol/B4: 6.26147	Sterimol/L: 12.0817

Surface and Volume Properties
Accessible surface: 426.61	Positive charged surface: 212	Negative charged surface: 214.61	Volume: 221.125
Hydrophobic surface: 348.734	Hydrophilic surface: 77.876

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

search links for this molecule:

Parent related molecule:

MMs02401805
NCID-ZINC04769082