MMsINC Database Search


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MMsINC code: MMs03675702

Type: Neutral
Formula: C₁₅H₁₀Cl₂F₃NO₂

SMILES:

Clc1cc(Cl)ccc1COC(=O)Nc1cc(ccc1)C(F)(F)F

InChI:

InChI=1/C15H10Cl2F3NO2/c16-11-5-4-9(13(17)7-11)8-23-14(22)21-12-3-1-2-10(6-12)15(18,19)20/h1-7H,8H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.8709 kcal/mol

Physical Properties
Molecular Weight: 364.15 g/mol	logS: -5.95682	SlogP: 6.3388	Reactive groups: 0

Topological Properties
Globularity: 0.0212079	Sterimol/B1: 2.59508	Sterimol/B2: 2.6943	Sterimol/B3: 3.83412
Sterimol/B4: 6.59597	Sterimol/L: 17.5088

Surface and Volume Properties
Accessible surface: 554.894	Positive charged surface: 193.356	Negative charged surface: 361.537	Volume: 285.5
Hydrophobic surface: 397.853	Hydrophilic surface: 157.041

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.