MMsINC Database Search


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MMsINC code: MMs02149905

Type: Neutral
Formula: C₂₄H₁₉ClN₂O₃

SMILES:

Clc1cccc(Oc2ccccc2)c1CNC(=O)c1c(noc1C)-c1ccccc1

InChI:

InChI=1/C24H19ClN2O3/c1-16-22(23(27-30-16)17-9-4-2-5-10-17)24(28)26-15-19-20(25)13-8-14-21(19)29-18-11-6-3-7-12-18/h2-14H,15H2,1H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.0807 kcal/mol

Physical Properties
Molecular Weight: 418.88 g/mol	logS: -7.17083	SlogP: 6.29212	Reactive groups: 0

Topological Properties
Globularity: 0.0565849	Sterimol/B1: 2.55485	Sterimol/B2: 3.63043	Sterimol/B3: 3.93422
Sterimol/B4: 10.0145	Sterimol/L: 18.2779

Surface and Volume Properties
Accessible surface: 661.645	Positive charged surface: 321.947	Negative charged surface: 339.698	Volume: 390.875
Hydrophobic surface: 593.317	Hydrophilic surface: 68.328

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.