MMsINC Database Search


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MMsINC code: MMs00747569

Type: Neutral
Formula: C₂₄H₁₇ClN₂O₃

SMILES:

Clc1cc(C(=O)c2ccccc2)c(NC(=O)c2c(noc2C)-c2ccccc2)cc1

InChI:

InChI=1/C24H17ClN2O3/c1-15-21(22(27-30-15)16-8-4-2-5-9-16)24(29)26-20-13-12-18(25)14-19(20)23(28)17-10-6-3-7-11-17/h2-14H,1H3,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.442 kcal/mol

Physical Properties
Molecular Weight: 416.864 g/mol	logS: -7.51689	SlogP: 5.78672	Reactive groups: 0

Topological Properties
Globularity: 0.481139	Sterimol/B1: 2.33127	Sterimol/B2: 2.67445	Sterimol/B3: 8.77844
Sterimol/B4: 9.26184	Sterimol/L: 14.1113

Surface and Volume Properties
Accessible surface: 654.52	Positive charged surface: 285.287	Negative charged surface: 369.233	Volume: 381.875
Hydrophobic surface: 578.892	Hydrophilic surface: 75.628

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.