MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02576930

Type: Neutral
Formula: C₁₇H₁₅ClFNO₄

SMILES:

Clc1cc(NC(=O)C(OC(=O)c2ccc(F)cc2)C)ccc1OC

InChI:

InChI=1/C17H15ClFNO4/c1-10(24-17(22)11-3-5-12(19)6-4-11)16(21)20-13-7-8-15(23-2)14(18)9-13/h3-10H,1-2H3,(H,20,21)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.6677 kcal/mol

Physical Properties
Molecular Weight: 351.761 g/mol	logS: -5.1699	SlogP: 3.6717	Reactive groups: 0

Topological Properties
Globularity: 0.0421879	Sterimol/B1: 2.23794	Sterimol/B2: 2.3416	Sterimol/B3: 5.72309
Sterimol/B4: 7.10174	Sterimol/L: 18.0845

Surface and Volume Properties
Accessible surface: 597.74	Positive charged surface: 318.142	Negative charged surface: 279.598	Volume: 305
Hydrophobic surface: 503.692	Hydrophilic surface: 94.048

Pharmacophoric Properties
Hydrogen bond donors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.