MMsINC Database Search


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MMsINC code: MMs00627396

Type: Neutral
Formula: C₁₅H₁₄ClFN₂O

SMILES:

Clc1ccccc1NC(=O)NCCc1ccc(F)cc1

InChI:

InChI=1/C15H14ClFN2O/c16-13-3-1-2-4-14(13)19-15(20)18-10-9-11-5-7-12(17)8-6-11/h1-8H,9-10H2,(H2,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.2978 kcal/mol

Physical Properties
Molecular Weight: 292.741 g/mol	logS: -4.28683	SlogP: 3.84327	Reactive groups: 0

Topological Properties
Globularity: 0.0427769	Sterimol/B1: 2.5633	Sterimol/B2: 3.57706	Sterimol/B3: 3.70229
Sterimol/B4: 6.54286	Sterimol/L: 17.1563

Surface and Volume Properties
Accessible surface: 528.486	Positive charged surface: 271.21	Negative charged surface: 257.276	Volume: 264.75
Hydrophobic surface: 471.817	Hydrophilic surface: 56.669

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