MMsINC Database Search


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MMsINC code: MMs03212737

Type: Neutral
Formula: C₁₅H₁₁ClF₃NO₃

SMILES:

Clc1cc(ccc1Oc1cc(C(OC)=O)c(N)cc1)C(F)(F)F

InChI:

InChI=1/C15H11ClF3NO3/c1-22-14(21)10-7-9(3-4-12(10)20)23-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,20H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.0291 kcal/mol

Physical Properties
Molecular Weight: 345.704 g/mol	logS: -5.06104	SlogP: 4.8314	Reactive groups: 0

Topological Properties
Globularity: 0.105596	Sterimol/B1: 2.3577	Sterimol/B2: 4.00367	Sterimol/B3: 4.41818
Sterimol/B4: 8.21764	Sterimol/L: 13.6508

Surface and Volume Properties
Accessible surface: 540.125	Positive charged surface: 260.757	Negative charged surface: 279.368	Volume: 274.125
Hydrophobic surface: 355.038	Hydrophilic surface: 185.087

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.