MMsINC Database Search


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MMsINC code: MMs02161195

Type: Neutral
Formula: C₁₉H₁₆Cl₂N₂O₃

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)NCCOc1ccccc1

InChI:

InChI=1/C19H16Cl2N2O3/c1-12-16(18(23-26-12)17-14(20)8-5-9-15(17)21)19(24)22-10-11-25-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.7026 kcal/mol

Physical Properties
Molecular Weight: 391.254 g/mol	logS: -6.19923	SlogP: 4.76562	Reactive groups: 0

Topological Properties
Globularity: 0.136823	Sterimol/B1: 2.3827	Sterimol/B2: 4.29501	Sterimol/B3: 5.02336
Sterimol/B4: 9.84572	Sterimol/L: 15.1125

Surface and Volume Properties
Accessible surface: 637.486	Positive charged surface: 310.355	Negative charged surface: 327.132	Volume: 344
Hydrophobic surface: 592.483	Hydrophilic surface: 45.003

Pharmacophoric Properties
Hydrogen bond donors: 1	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.