MMsINC Database Search


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MMsINC code: MMs00584538

Type: Neutral
Formula: C₁₇H₁₄ClFN₂O₂

SMILES:

Clc1cc(NC(=O)C2CC(=O)N(C2)c2ccc(F)cc2)ccc1

InChI:

InChI=1/C17H14ClFN2O2/c18-12-2-1-3-14(9-12)20-17(23)11-8-16(22)21(10-11)15-6-4-13(19)5-7-15/h1-7,9,11H,8,10H2,(H,20,23)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.1928 kcal/mol

Physical Properties
Molecular Weight: 332.762 g/mol	logS: -4.29392	SlogP: 3.4707	Reactive groups: 0

Topological Properties
Globularity: 0.0263735	Sterimol/B1: 2.21307	Sterimol/B2: 3.71968	Sterimol/B3: 4.07513
Sterimol/B4: 6.02104	Sterimol/L: 17.5684

Surface and Volume Properties
Accessible surface: 553.788	Positive charged surface: 270.994	Negative charged surface: 282.794	Volume: 291.75
Hydrophobic surface: 482.39	Hydrophilic surface: 71.398

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.