MMsINC Database Search


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MMsINC code: MMs00376481

Type: Neutral
Formula: C₂₅H₂₀Cl₂N₂

SMILES:

Clc1cc(Cl)ccc1C(c1c2c([nH]c1C)cccc2)c1c2c([nH]c1C)cccc2

InChI:

InChI=1/C25H20Cl2N2/c1-14-23(18-7-3-5-9-21(18)28-14)25(17-12-11-16(26)13-20(17)27)24-15(2)29-22-10-6-4-8-19(22)24/h3-13,25,28-29H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.047 kcal/mol

Physical Properties
Molecular Weight: 419.355 g/mol	logS: -7.50543	SlogP: 7.75304	Reactive groups: 0

Topological Properties
Globularity: 0.523678	Sterimol/B1: 2.42234	Sterimol/B2: 3.26912	Sterimol/B3: 8.08412
Sterimol/B4: 8.87073	Sterimol/L: 12.8048

Surface and Volume Properties
Accessible surface: 624.741	Positive charged surface: 296.607	Negative charged surface: 325.918	Volume: 386.875
Hydrophobic surface: 573.071	Hydrophilic surface: 51.67

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 0	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.