MMsINC Database Search


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MMsINC code: MMs00736580

Type: Neutral
Formula: C₁₄H₉Cl₂FO₃

SMILES:

Clc1cc(cc(Cl)c1OC)C(Oc1ccccc1F)=O

InChI:

InChI=1/C14H9Cl2FO3/c1-19-13-9(15)6-8(7-10(13)16)14(18)20-12-5-3-2-4-11(12)17/h2-7H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.5628 kcal/mol

Physical Properties
Molecular Weight: 315.127 g/mol	logS: -5.31288	SlogP: 4.3603	Reactive groups: 0

Topological Properties
Globularity: 0.0625878	Sterimol/B1: 2.97482	Sterimol/B2: 3.53073	Sterimol/B3: 4.34908
Sterimol/B4: 5.12874	Sterimol/L: 16.198

Surface and Volume Properties
Accessible surface: 507.74	Positive charged surface: 226.26	Negative charged surface: 281.479	Volume: 256.5
Hydrophobic surface: 469.5	Hydrophilic surface: 38.24

Pharmacophoric Properties
Hydrogen bond donors: 0	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.