MMsINC Database Search


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MMsINC code: MMs00604776

Type: Neutral
Formula: C₁₄H₁₀ClFO₂

SMILES:

Clc1cc(ccc1OCc1cc(F)ccc1)C=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.8406 kcal/mol

Physical Properties
Molecular Weight: 264.683 g/mol	logS: -4.23854	SlogP: 4.137	Reactive groups: 1

Topological Properties
Globularity: 0.071822	Sterimol/B1: 2.42382	Sterimol/B2: 3.7229	Sterimol/B3: 4.94398
Sterimol/B4: 5.05728	Sterimol/L: 15.4966

Surface and Volume Properties
Accessible surface: 475.732	Positive charged surface: 222.252	Negative charged surface: 253.481	Volume: 232.375
Hydrophobic surface: 408.833	Hydrophilic surface: 66.899

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.