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MMsINC code: MMs01586418

Type: Neutral
Formula: C₁₇H₁₆Cl₂FNO₂

SMILES:

Clc1cc(Cl)ccc1C(NC(=O)C(Oc1ccccc1F)C)C

InChI:

InChI=1/C17H16Cl2FNO2/c1-10(13-8-7-12(18)9-14(13)19)21-17(22)11(2)23-16-6-4-3-5-15(16)20/h3-11H,1-2H3,(H,21,22)/t10-,11+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.7023 kcal/mol

Physical Properties
Molecular Weight: 356.224 g/mol	logS: -5.79371	SlogP: 4.8727	Reactive groups: 0

Topological Properties
Globularity: 0.0794847	Sterimol/B1: 2.22105	Sterimol/B2: 2.95166	Sterimol/B3: 4.95892
Sterimol/B4: 7.12143	Sterimol/L: 17.1487

Surface and Volume Properties
Accessible surface: 587.025	Positive charged surface: 252.529	Negative charged surface: 334.496	Volume: 309.75
Hydrophobic surface: 512.179	Hydrophilic surface: 74.846

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.