MMsINC Database Search


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MMsINC code: MMs00670017

Type: Neutral
Formula: C₁₇H₁₅ClF₃NO₂

SMILES:

Clc1ccc(NC(=O)C(Oc2ccccc2)CC)cc1C(F)(F)F

InChI:

InChI=1/C17H15ClF3NO2/c1-2-15(24-12-6-4-3-5-7-12)16(23)22-11-8-9-14(18)13(10-11)17(19,20)21/h3-10,15H,2H2,1H3,(H,22,23)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.988 kcal/mol

Physical Properties
Molecular Weight: 357.759 g/mol	logS: -5.75151	SlogP: 5.4664	Reactive groups: 0

Topological Properties
Globularity: 0.0970698	Sterimol/B1: 2.56608	Sterimol/B2: 3.4681	Sterimol/B3: 5.0068
Sterimol/B4: 5.90363	Sterimol/L: 17.0146

Surface and Volume Properties
Accessible surface: 564.179	Positive charged surface: 250.535	Negative charged surface: 313.644	Volume: 300.75
Hydrophobic surface: 409.19	Hydrophilic surface: 154.989

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.