MMsINC Database Search


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MMsINC code: MMs01511285

Type: Neutral
Formula: C₁₆H₁₄Cl₂FNO₂

SMILES:

Clc1cc(NC(=O)C(Oc2ccc(Cl)cc2C)C)ccc1F

InChI:

InChI=1/C16H14Cl2FNO2/c1-9-7-11(17)3-6-15(9)22-10(2)16(21)20-12-4-5-14(19)13(18)8-12/h3-8,10H,1-2H3,(H,20,21)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.142 kcal/mol

Physical Properties
Molecular Weight: 342.197 g/mol	logS: -5.68293	SlogP: 4.84692	Reactive groups: 0

Topological Properties
Globularity: 0.0566428	Sterimol/B1: 2.05852	Sterimol/B2: 3.70411	Sterimol/B3: 4.16242
Sterimol/B4: 6.67411	Sterimol/L: 17.7194

Surface and Volume Properties
Accessible surface: 567.078	Positive charged surface: 247.131	Negative charged surface: 319.947	Volume: 293.125
Hydrophobic surface: 510.647	Hydrophilic surface: 56.431

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.