MMsINC Database Search


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MMsINC code: MMs00963155

Type: Neutral
Formula: C₂₃H₁₈ClFN₂O₂

SMILES:

Clc1cccc(F)c1CN1c2c(cccc2)C(=O)N(CCc2ccccc2)C1=O

InChI:

InChI=1/C23H18ClFN2O2/c24-19-10-6-11-20(25)18(19)15-27-21-12-5-4-9-17(21)22(28)26(23(27)29)14-13-16-7-2-1-3-8-16/h1-12H,13-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.2092 kcal/mol

Physical Properties
Molecular Weight: 408.86 g/mol	logS: -6.35246	SlogP: 5.57057	Reactive groups: 0

Topological Properties
Globularity: 0.0832487	Sterimol/B1: 3.64874	Sterimol/B2: 4.10556	Sterimol/B3: 5.94495
Sterimol/B4: 6.53839	Sterimol/L: 15.9458

Surface and Volume Properties
Accessible surface: 617.667	Positive charged surface: 331.782	Negative charged surface: 285.885	Volume: 367.25
Hydrophobic surface: 566.493	Hydrophilic surface: 51.174

Pharmacophoric Properties
Hydrogen bond donors: 0	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.