MMsINC Database Search


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MMsINC code: MMs00751046

Type: Neutral
Formula: C₂₅H₂₀Cl₂N₂O₃

SMILES:

Clc1ccccc1C(=O)N(CCCCN1C(=O)c2c(cccc2)C1=O)c1ccc(Cl)cc1

InChI:

InChI=1/C25H20Cl2N2O3/c26-17-11-13-18(14-12-17)28(25(32)21-9-3-4-10-22(21)27)15-5-6-16-29-23(30)19-7-1-2-8-20(19)24(29)31/h1-4,7-14H,5-6,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=155.311 kcal/mol

Physical Properties
Molecular Weight: 467.352 g/mol	logS: -7.46519	SlogP: 5.7166	Reactive groups: 0

Topological Properties
Globularity: 0.050615	Sterimol/B1: 2.92232	Sterimol/B2: 4.2663	Sterimol/B3: 6.50102
Sterimol/B4: 8.20242	Sterimol/L: 17.4807

Surface and Volume Properties
Accessible surface: 715.736	Positive charged surface: 335.651	Negative charged surface: 380.086	Volume: 414.375
Hydrophobic surface: 625.92	Hydrophilic surface: 89.816

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.