MMsINC Database Search


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MMsINC code: MMs02766840

Type: Neutral
Formula: C₂₁H₁₆ClN₃O₃

SMILES:

Clc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N\N=C\c1ccccc1O

InChI:

InChI=1/C21H16ClN3O3/c22-18-7-3-2-6-17(18)21(28)24-16-11-9-14(10-12-16)20(27)25-23-13-15-5-1-4-8-19(15)26/h1-13,26H,(H,24,28)(H,25,27)/b23-13+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.79 kcal/mol

Physical Properties
Molecular Weight: 393.83 g/mol	logS: -5.88048	SlogP: 4.0618	Reactive groups: 0

Topological Properties
Globularity: 0.00573547	Sterimol/B1: 2.81334	Sterimol/B2: 2.9203	Sterimol/B3: 3.00824
Sterimol/B4: 5.77672	Sterimol/L: 22.9333

Surface and Volume Properties
Accessible surface: 665.817	Positive charged surface: 347.012	Negative charged surface: 318.806	Volume: 354.625
Hydrophobic surface: 530.267	Hydrophilic surface: 135.55

Pharmacophoric Properties
Hydrogen bond donors: 3	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.