MMsINC Database Search


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MMsINC code: MMs00662522

Type: Neutral
Formula: C₂₄H₁₉ClN₂O₂

SMILES:

Clc1cccc(NC(=O)Cn2cc(c3c2cccc3)C(=O)c2ccccc2)c1C

InChI:

InChI=1/C24H19ClN2O2/c1-16-20(25)11-7-12-21(16)26-23(28)15-27-14-19(18-10-5-6-13-22(18)27)24(29)17-8-3-2-4-9-17/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)=119.935 kcal/mol

Physical Properties
Molecular Weight: 402.881 g/mol	logS: -6.53279	SlogP: 5.73922	Reactive groups: 0

Topological Properties
Globularity: 0.116667	Sterimol/B1: 2.45086	Sterimol/B2: 4.25669	Sterimol/B3: 5.94408
Sterimol/B4: 9.11739	Sterimol/L: 16.5488

Surface and Volume Properties
Accessible surface: 672.172	Positive charged surface: 334.826	Negative charged surface: 331.66	Volume: 378.375
Hydrophobic surface: 608.327	Hydrophilic surface: 63.845

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.