MMsINC Database Search


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MMsINC code: MMs01264032

Type: Neutral
Formula: C₁₅H₁₃ClFNO₂

SMILES:

Clc1cc(C(=O)NCc2ccccc2F)c(OC)cc1

InChI:

InChI=1/C15H13ClFNO2/c1-20-14-7-6-11(16)8-12(14)15(19)18-9-10-4-2-3-5-13(10)17/h2-8H,9H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.0572 kcal/mol

Physical Properties
Molecular Weight: 293.725 g/mol	logS: -4.37856	SlogP: 3.6841	Reactive groups: 0

Topological Properties
Globularity: 0.0566341	Sterimol/B1: 2.5635	Sterimol/B2: 3.65026	Sterimol/B3: 3.66415
Sterimol/B4: 8.06135	Sterimol/L: 14.6961

Surface and Volume Properties
Accessible surface: 520.979	Positive charged surface: 279.893	Negative charged surface: 241.086	Volume: 264
Hydrophobic surface: 476.358	Hydrophilic surface: 44.621

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.