MMsINC Database Search


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MMsINC code: MMs01295103

Type: Neutral
Formula: C₁₈H₁₄F₅NO₃

SMILES:

FC1(F)C(N(C1=O)c1cc(ccc1)C(F)(F)F)c1cc(OC)c(OC)cc1

InChI:

InChI=1/C18H14F5NO3/c1-26-13-7-6-10(8-14(13)27-2)15-17(19,20)16(25)24(15)12-5-3-4-11(9-12)18(21,22)23/h3-9,15H,1-2H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.805 kcal/mol

Physical Properties
Molecular Weight: 387.304 g/mol	logS: -5.25837	SlogP: 5.2727	Reactive groups: 0

Topological Properties
Globularity: 0.228445	Sterimol/B1: 2.13354	Sterimol/B2: 3.80583	Sterimol/B3: 5.54165
Sterimol/B4: 8.40908	Sterimol/L: 14.4102

Surface and Volume Properties
Accessible surface: 582.604	Positive charged surface: 281.496	Negative charged surface: 288.372	Volume: 312.75
Hydrophobic surface: 355.251	Hydrophilic surface: 227.353

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.