MMsINC Database Search


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MMsINC code: MMs01242165

Type: Neutral
Formula: C₂₅H₂₀Cl₂N₂O₃

SMILES:

Clc1cc(cc(Cl)c1)C(=O)N(CCN1C(=O)c2c(cccc2)C1=O)c1ccc(cc1C)C

InChI:

InChI=1/C25H20Cl2N2O3/c1-15-7-8-22(16(2)11-15)28(23(30)17-12-18(26)14-19(27)13-17)9-10-29-24(31)20-5-3-4-6-21(20)25(29)32/h3-8,11-14H,9-10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.788 kcal/mol

Physical Properties
Molecular Weight: 467.352 g/mol	logS: -7.69604	SlogP: 5.55324	Reactive groups: 0

Topological Properties
Globularity: 0.0767965	Sterimol/B1: 2.23247	Sterimol/B2: 4.07796	Sterimol/B3: 4.38671
Sterimol/B4: 10.3776	Sterimol/L: 17.9471

Surface and Volume Properties
Accessible surface: 691.983	Positive charged surface: 324.544	Negative charged surface: 367.439	Volume: 416.625
Hydrophobic surface: 594.097	Hydrophilic surface: 97.886

Pharmacophoric Properties
Hydrogen bond donors: 0	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.