MMsINC Database Search


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MMsINC code: MMs02762915

Type: Neutral
Formula: C₁₄H₁₀ClFO₃

SMILES:

Clc1cc(C(OCc2cc(F)ccc2)=O)c(O)cc1

InChI:

InChI=1/C14H10ClFO3/c15-10-4-5-13(17)12(7-10)14(18)19-8-9-2-1-3-11(16)6-9/h1-7,17H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.3958 kcal/mol

Physical Properties
Molecular Weight: 280.682 g/mol	logS: -4.20183	SlogP: 3.8081	Reactive groups: 0

Topological Properties
Globularity: 0.0739712	Sterimol/B1: 2.44488	Sterimol/B2: 4.43536	Sterimol/B3: 5.01879
Sterimol/B4: 5.31205	Sterimol/L: 14.4476

Surface and Volume Properties
Accessible surface: 492.057	Positive charged surface: 230.977	Negative charged surface: 261.08	Volume: 240.5
Hydrophobic surface: 411.942	Hydrophilic surface: 80.115

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	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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Ions/Tautomers related molecules: no related molecules available.