MMsINC Database Search


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MMsINC code: MMs00586843

Type: Neutral
Formula: C₁₈H₁₄ClFN₂O₂

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)Nc1ccc(cc1)C

InChI:

InChI=1/C18H14ClFN2O2/c1-10-6-8-12(9-7-10)21-18(23)15-11(2)24-22-17(15)16-13(19)4-3-5-14(16)20/h3-9H,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.9225 kcal/mol

Physical Properties
Molecular Weight: 344.773 g/mol	logS: -6.21298	SlogP: 5.00324	Reactive groups: 0

Topological Properties
Globularity: 0.103792	Sterimol/B1: 3.56764	Sterimol/B2: 4.12553	Sterimol/B3: 5.20222
Sterimol/B4: 7.32491	Sterimol/L: 14.4766

Surface and Volume Properties
Accessible surface: 572.197	Positive charged surface: 273.74	Negative charged surface: 298.457	Volume: 306.75
Hydrophobic surface: 526.303	Hydrophilic surface: 45.894

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.