MMsINC Database Search


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MMsINC code: MMs03534218

Type: Neutral
Formula: C₁₉H₁₄Cl₂N₂O₄

SMILES:

Clc1cc(cc(Cl)c1OCc1ccccc1)\C=C/1\C(=O)N(C)C(=O)NC\1=O

InChI:

InChI=1/C19H14Cl2N2O4/c1-23-18(25)13(17(24)22-19(23)26)7-12-8-14(20)16(15(21)9-12)27-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,22,24,26)/b13-7-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.8949 kcal/mol

Physical Properties
Molecular Weight: 405.237 g/mol	logS: -5.99197	SlogP: 3.9304	Reactive groups: 0

Topological Properties
Globularity: 0.0358291	Sterimol/B1: 2.17723	Sterimol/B2: 2.74279	Sterimol/B3: 4.38559
Sterimol/B4: 7.29334	Sterimol/L: 18.3209

Surface and Volume Properties
Accessible surface: 609.455	Positive charged surface: 311.39	Negative charged surface: 298.065	Volume: 339.375
Hydrophobic surface: 464.937	Hydrophilic surface: 144.518

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.