MMsINC Database Search


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MMsINC code: MMs00047974

Type: Neutral
Formula: C₁₅H₁₀ClFN₂O₂

SMILES:

Clc1nc(cc2c1C(=O)N(Cc1cc(F)ccc1)C2=O)C

InChI:

InChI=1/C15H10ClFN2O2/c1-8-5-11-12(13(16)18-8)15(21)19(14(11)20)7-9-3-2-4-10(17)6-9/h2-6H,7H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.414 kcal/mol

Physical Properties
Molecular Weight: 304.708 g/mol	logS: -4.09841	SlogP: 3.24512	Reactive groups: 0

Topological Properties
Globularity: 0.109567	Sterimol/B1: 2.93195	Sterimol/B2: 3.33422	Sterimol/B3: 4.73817
Sterimol/B4: 6.30916	Sterimol/L: 14.2052

Surface and Volume Properties
Accessible surface: 497.614	Positive charged surface: 240.724	Negative charged surface: 256.89	Volume: 258.625
Hydrophobic surface: 406.159	Hydrophilic surface: 91.455

Pharmacophoric Properties
Hydrogen bond donors: 0	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.