MMsINC Database Search


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MMsINC code: MMs00697891

Type: Neutral
Formula: C₂₄H₁₈Cl₂N₂O₃

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ccc(OCc2ccccc2)cc1

InChI:

InChI=1/C24H18Cl2N2O3/c1-15-21(23(28-31-15)22-19(25)8-5-9-20(22)26)24(29)27-17-10-12-18(13-11-17)30-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.55 kcal/mol

Physical Properties
Molecular Weight: 453.325 g/mol	logS: -7.99665	SlogP: 7.05452	Reactive groups: 0

Topological Properties
Globularity: 0.0535072	Sterimol/B1: 2.15138	Sterimol/B2: 4.28314	Sterimol/B3: 4.44812
Sterimol/B4: 10.3787	Sterimol/L: 19.2812

Surface and Volume Properties
Accessible surface: 713.503	Positive charged surface: 333.344	Negative charged surface: 380.159	Volume: 404.875
Hydrophobic surface: 663.127	Hydrophilic surface: 50.376

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: 0

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Ions/Tautomers related molecules: no related molecules available.