MMsINC Database Search


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MMsINC code: MMs02139331

Type: Neutral
Formula: C₁₄H₉Cl₂FO₂

SMILES:

Clc1cccc(F)c1COC(=O)c1ccccc1Cl

InChI:

InChI=1/C14H9Cl2FO2/c15-11-5-2-1-4-9(11)14(18)19-8-10-12(16)6-3-7-13(10)17/h1-7H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.6379 kcal/mol

Physical Properties
Molecular Weight: 299.128 g/mol	logS: -5.29807	SlogP: 4.7559	Reactive groups: 0

Topological Properties
Globularity: 0.0839829	Sterimol/B1: 2.56224	Sterimol/B2: 3.92246	Sterimol/B3: 4.68495
Sterimol/B4: 6.5432	Sterimol/L: 14.3931

Surface and Volume Properties
Accessible surface: 487.386	Positive charged surface: 198.827	Negative charged surface: 288.559	Volume: 247.25
Hydrophobic surface: 458.226	Hydrophilic surface: 29.16

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