MMsINC Database Search


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MMsINC code: MMs02555339

Type: Neutral
Formula: C₁₄H₁₀ClFO₂

SMILES:

Clc1ccc(cc1)C(OCc1ccc(F)cc1)=O

InChI:

InChI=1/C14H10ClFO2/c15-12-5-3-11(4-6-12)14(17)18-9-10-1-7-13(16)8-2-10/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.3036 kcal/mol

Physical Properties
Molecular Weight: 264.683 g/mol	logS: -4.56378	SlogP: 4.1025	Reactive groups: 0

Topological Properties
Globularity: 0.0710665	Sterimol/B1: 2.42126	Sterimol/B2: 3.95964	Sterimol/B3: 4.51017
Sterimol/B4: 4.81837	Sterimol/L: 15.5652

Surface and Volume Properties
Accessible surface: 478.987	Positive charged surface: 214.733	Negative charged surface: 264.253	Volume: 234.5
Hydrophobic surface: 437.251	Hydrophilic surface: 41.736

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.