MMsINC Database Search


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MMsINC code: MMs02832828

Type: Neutral
Formula: C₁₉H₁₄Cl₂N₂O₄

SMILES:

ClC1=C(Nc2ccc(Cl)cc2C)C(=O)N(C1=O)c1ccc(cc1)C(OC)=O

InChI:

InChI=1/C19H14Cl2N2O4/c1-10-9-12(20)5-8-14(10)22-16-15(21)17(24)23(18(16)25)13-6-3-11(4-7-13)19(26)27-2/h3-9,22H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.155 kcal/mol

Physical Properties
Molecular Weight: 405.237 g/mol	logS: -6.28662	SlogP: 3.97962	Reactive groups: 1

Topological Properties
Globularity: 0.0456675	Sterimol/B1: 2.47735	Sterimol/B2: 5.23777	Sterimol/B3: 5.7567
Sterimol/B4: 6.14411	Sterimol/L: 17.8483

Surface and Volume Properties
Accessible surface: 626.781	Positive charged surface: 299.211	Negative charged surface: 327.57	Volume: 341.5
Hydrophobic surface: 523.15	Hydrophilic surface: 103.631

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.