MMsINC Database Search


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MMsINC code: MMs00529841

Type: Neutral
Formula: C₁₉H₁₆Cl₂N₂O₃

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)NCCOc1ccc(Cl)cc1

InChI:

InChI=1/C19H16Cl2N2O3/c1-12-17(18(23-26-12)15-4-2-3-5-16(15)21)19(24)22-10-11-25-14-8-6-13(20)7-9-14/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)=82.9403 kcal/mol

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

Topological Properties
Globularity: 0.13565	Sterimol/B1: 2.39423	Sterimol/B2: 4.23138	Sterimol/B3: 5.16484
Sterimol/B4: 9.79568	Sterimol/L: 16.1472

Surface and Volume Properties
Accessible surface: 650.174	Positive charged surface: 298.818	Negative charged surface: 351.356	Volume: 346.125
Hydrophobic surface: 596.413	Hydrophilic surface: 53.761

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.