MMsINC Database Search


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MMsINC code: MMs00144390

Type: Neutral
Formula: C₁₉H₁₆Cl₂N₂O₃

SMILES:

Clc1cc(Cl)ccc1NC(=O)C=1C(=O)N(c2c(cccc2)C=1O)CCC

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.7535 kcal/mol

Physical Properties
Molecular Weight: 391.254 g/mol	logS: -5.78686	SlogP: 4.6578	Reactive groups: 0

Topological Properties
Globularity: 0.0214296	Sterimol/B1: 2.27277	Sterimol/B2: 2.46902	Sterimol/B3: 3.03088
Sterimol/B4: 9.07776	Sterimol/L: 17.3794

Surface and Volume Properties
Accessible surface: 600.042	Positive charged surface: 288.539	Negative charged surface: 311.502	Volume: 336.125
Hydrophobic surface: 499.47	Hydrophilic surface: 100.572

Pharmacophoric Properties
Hydrogen bond donors: 2	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.