MMsINC Database Search


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MMsINC code: MMs02565514

Type: Neutral
Formula: C₂₅H₂₀Cl₂N₂O₃

SMILES:

Clc1ccc(cc1)C(=O)N(CCCCN1C(=O)c2c(cccc2)C1=O)c1ccc(Cl)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=159.692 kcal/mol

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

Topological Properties
Globularity: 0.031381	Sterimol/B1: 2.34791	Sterimol/B2: 4.25135	Sterimol/B3: 6.74791
Sterimol/B4: 9.22321	Sterimol/L: 17.7345

Surface and Volume Properties
Accessible surface: 715.832	Positive charged surface: 317.635	Negative charged surface: 398.197	Volume: 414.375
Hydrophobic surface: 618.873	Hydrophilic surface: 96.959

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.