MMsINC Database Search


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MMsINC code: MMs02983058

Type: Neutral
Formula: C₁₉H₁₆Cl₂N₂O₃

SMILES:

Clc1cc(cc(Cl)c1OC)-c1noc(C)c1C(=O)NCc1ccccc1

InChI:

InChI=1/C19H16Cl2N2O3/c1-11-16(19(24)22-10-12-6-4-3-5-7-12)17(23-26-11)13-8-14(20)18(25-2)15(21)9-13/h3-9H,10H2,1-2H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.3411 kcal/mol

Physical Properties
Molecular Weight: 391.254 g/mol	logS: -6.17279	SlogP: 5.16182	Reactive groups: 0

Topological Properties
Globularity: 0.0618119	Sterimol/B1: 2.55704	Sterimol/B2: 2.77169	Sterimol/B3: 4.30918
Sterimol/B4: 10.1664	Sterimol/L: 15.8796

Surface and Volume Properties
Accessible surface: 609.826	Positive charged surface: 295.512	Negative charged surface: 314.314	Volume: 342.375
Hydrophobic surface: 532.107	Hydrophilic surface: 77.719

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.