MMsINC Database Search


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MMsINC code: MMs02310816

Type: Neutral
Formula: C₁₄H₁₁ClF₂O

SMILES:

ClC(F)(F)C(O)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C14H11ClF2O/c15-14(16,17)13(18,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.672 kcal/mol

Physical Properties
Molecular Weight: 268.69 g/mol	logS: -4.44838	SlogP: 4.4855	Reactive groups: 0

Topological Properties
Globularity: 0.225488	Sterimol/B1: 2.79467	Sterimol/B2: 3.66597	Sterimol/B3: 4.33237
Sterimol/B4: 5.84031	Sterimol/L: 11.8164

Surface and Volume Properties
Accessible surface: 429.103	Positive charged surface: 184.662	Negative charged surface: 244.441	Volume: 229.25
Hydrophobic surface: 302.221	Hydrophilic surface: 126.882

Pharmacophoric Properties
Hydrogen bond donors: 1	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.