MMsINC Database Search


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MMsINC code: MMs01635671

Type: Neutral
Formula: C₁₅H₁₂ClF₂NO₃

SMILES:

Clc1cc(F)c(F)cc1C(=O)Nc1cc(OC)ccc1OC

InChI:

InChI=1/C15H12ClF2NO3/c1-21-8-3-4-14(22-2)13(5-8)19-15(20)9-6-11(17)12(18)7-10(9)16/h3-7H,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.6361 kcal/mol

Physical Properties
Molecular Weight: 327.714 g/mol	logS: -4.77988	SlogP: 3.8877	Reactive groups: 0

Topological Properties
Globularity: 0.0200043	Sterimol/B1: 2.35015	Sterimol/B2: 2.52975	Sterimol/B3: 3.38487
Sterimol/B4: 8.6404	Sterimol/L: 15.0908

Surface and Volume Properties
Accessible surface: 536.392	Positive charged surface: 310.594	Negative charged surface: 225.799	Volume: 270.25
Hydrophobic surface: 496.04	Hydrophilic surface: 40.352

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.