MMsINC Database Search


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MMsINC code: MMs00683992

Type: Neutral
Formula: C₂₀H₁₂Cl₂N₂O₂

SMILES:

Clc1cc2c(cc1Cl)C(=O)N(C2=O)c1ccc(cc1)Cc1ccncc1

InChI:

InChI=1/C20H12Cl2N2O2/c21-17-10-15-16(11-18(17)22)20(26)24(19(15)25)14-3-1-12(2-4-14)9-13-5-7-23-8-6-13/h1-8,10-11H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.5685 kcal/mol

Physical Properties
Molecular Weight: 383.234 g/mol	logS: -6.08541	SlogP: 4.77977	Reactive groups: 0

Topological Properties
Globularity: 0.0581638	Sterimol/B1: 2.50208	Sterimol/B2: 2.79973	Sterimol/B3: 5.0612
Sterimol/B4: 5.19615	Sterimol/L: 17.622

Surface and Volume Properties
Accessible surface: 587.825	Positive charged surface: 292.517	Negative charged surface: 295.308	Volume: 329.375
Hydrophobic surface: 501.318	Hydrophilic surface: 86.507

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.