MMsINC Database Search


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MMsINC code: MMs00789463

Type: Neutral
Formula: C₂₀H₁₅ClFNO₂

SMILES:

Clc1cc(NC(=O)COc2ccc(cc2)-c2ccccc2)ccc1F

InChI:

InChI=1/C20H15ClFNO2/c21-18-12-16(8-11-19(18)22)23-20(24)13-25-17-9-6-15(7-10-17)14-4-2-1-3-5-14/h1-12H,13H2,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.674 kcal/mol

Physical Properties
Molecular Weight: 355.796 g/mol	logS: -6.88734	SlogP: 5.1636	Reactive groups: 0

Topological Properties
Globularity: 0.00693345	Sterimol/B1: 2.66986	Sterimol/B2: 3.24433	Sterimol/B3: 3.60862
Sterimol/B4: 4.63852	Sterimol/L: 20.8758

Surface and Volume Properties
Accessible surface: 620.577	Positive charged surface: 281.03	Negative charged surface: 328.477	Volume: 323.375
Hydrophobic surface: 565.715	Hydrophilic surface: 54.862

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.