MMsINC Database Search


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MMsINC code: MMs00534889

Type: Neutral
Formula: C₁₇H₁₅Cl₂FN₂O₃

SMILES:

Clc1c(OCCNC(=O)CNC(=O)c2ccccc2F)cccc1Cl

InChI:

InChI=1/C17H15Cl2FN2O3/c18-12-5-3-7-14(16(12)19)25-9-8-21-15(23)10-22-17(24)11-4-1-2-6-13(11)20/h1-7H,8-10H2,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.7263 kcal/mol

Physical Properties
Molecular Weight: 385.222 g/mol	logS: -5.31186	SlogP: 3.0575	Reactive groups: 0

Topological Properties
Globularity: 0.0258342	Sterimol/B1: 3.25111	Sterimol/B2: 3.36443	Sterimol/B3: 3.90353
Sterimol/B4: 6.10837	Sterimol/L: 20.2412

Surface and Volume Properties
Accessible surface: 632.538	Positive charged surface: 312.527	Negative charged surface: 320.012	Volume: 325.875
Hydrophobic surface: 543.935	Hydrophilic surface: 88.603

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.