MMsINC Database Search


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MMsINC code: MMs01397571

Type: Neutral
Formula: C₁₈H₁₆Cl₂FNO₃

SMILES:

Clc1cc(Cl)ccc1C(NC(=O)COc1ccc(F)cc1C(=O)C)C

InChI:

InChI=1/C18H16Cl2FNO3/c1-10(14-5-3-12(19)7-16(14)20)22-18(24)9-25-17-6-4-13(21)8-15(17)11(2)23/h3-8,10H,9H2,1-2H3,(H,22,24)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.5833 kcal/mol

Physical Properties
Molecular Weight: 384.234 g/mol	logS: -5.77877	SlogP: 4.6868	Reactive groups: 0

Topological Properties
Globularity: 0.0366626	Sterimol/B1: 2.19808	Sterimol/B2: 3.15976	Sterimol/B3: 5.08225
Sterimol/B4: 6.76841	Sterimol/L: 17.9193

Surface and Volume Properties
Accessible surface: 624.823	Positive charged surface: 285.468	Negative charged surface: 339.355	Volume: 331.5
Hydrophobic surface: 535.499	Hydrophilic surface: 89.324

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

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Ions/Tautomers related molecules: no related molecules available.