MMsINC Database Search


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MMsINC code: MMs02746564

Type: Ionized
Formula: C₁₄H₁₀FO₃-

SMILES:

Fc1cc(ccc1OC)-c1ccc(cc1)C(=O)[O-]

InChI:

InChI=1/C14H11FO3/c1-18-13-7-6-11(8-12(13)15)9-2-4-10(5-3-9)14(16)17/h2-8H,1H3,(H,16,17)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.9561 kcal/mol

Physical Properties
Molecular Weight: 245.229 g/mol	logS: -4.38647	SlogP: 1.8648	Reactive groups: 0

Topological Properties
Globularity: 0.0341591	Sterimol/B1: 2.56112	Sterimol/B2: 2.97141	Sterimol/B3: 3.10769
Sterimol/B4: 4.41407	Sterimol/L: 15.8084

Surface and Volume Properties
Accessible surface: 453.196	Positive charged surface: 236.546	Negative charged surface: 212.329	Volume: 223.25
Hydrophobic surface: 354.21	Hydrophilic surface: 98.986

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

MMs02746563
PUBCHEM-ZINC00970970