MMsINC Database Search


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MMsINC code: MMs01552742

Type: Neutral
Formula: C₁₇H₁₅ClFNO₄

SMILES:

Clc1cc(C(OCC(=O)NC(C)c2ccc(F)cc2)=O)c(O)cc1

InChI:

InChI=1/C17H15ClFNO4/c1-10(11-2-5-13(19)6-3-11)20-16(22)9-24-17(23)14-8-12(18)4-7-15(14)21/h2-8,10,21H,9H2,1H3,(H,20,22)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.0679 kcal/mol

Physical Properties
Molecular Weight: 351.761 g/mol	logS: -4.70161	SlogP: 3.3144	Reactive groups: 0

Topological Properties
Globularity: 0.0388471	Sterimol/B1: 2.15553	Sterimol/B2: 3.96624	Sterimol/B3: 5.24884
Sterimol/B4: 5.68351	Sterimol/L: 18.4669

Surface and Volume Properties
Accessible surface: 606.151	Positive charged surface: 303.621	Negative charged surface: 302.53	Volume: 304.375
Hydrophobic surface: 469.298	Hydrophilic surface: 136.853

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.