MMsINC Database Search


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MMsINC code: MMs00430021

Type: Neutral
Formula: C₂₀H₁₆ClFN₂O₃

SMILES:

Clc1cccc(F)c1CN1C=CC=C(NC(=O)c2ccc(OC)cc2)C1=O

InChI:

InChI=1/C20H16ClFN2O3/c1-27-14-9-7-13(8-10-14)19(25)23-18-6-3-11-24(20(18)26)12-15-16(21)4-2-5-17(15)22/h2-11H,12H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.633 kcal/mol

Physical Properties
Molecular Weight: 386.81 g/mol	logS: -5.43792	SlogP: 3.9239	Reactive groups: 0

Topological Properties
Globularity: 0.0749351	Sterimol/B1: 2.56839	Sterimol/B2: 4.03475	Sterimol/B3: 4.92467
Sterimol/B4: 6.54968	Sterimol/L: 18.2492

Surface and Volume Properties
Accessible surface: 611.763	Positive charged surface: 335.919	Negative charged surface: 275.843	Volume: 341.625
Hydrophobic surface: 540.543	Hydrophilic surface: 71.22

Pharmacophoric Properties
Hydrogen bond donors: 1	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.