MMsINC Database Search


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MMsINC code: MMs00509377

Type: Neutral
Formula: C₂₀H₁₅ClN₂O₂

SMILES:

Clc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1

InChI:

InChI=1/C20H15ClN2O2/c21-16-11-5-7-13-18(16)23-20(25)15-10-4-6-12-17(15)22-19(24)14-8-2-1-3-9-14/h1-13H,(H,22,24)(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.442 kcal/mol

Physical Properties
Molecular Weight: 350.805 g/mol	logS: -6.05915	SlogP: 4.8446	Reactive groups: 0

Topological Properties
Globularity: 0.0209736	Sterimol/B1: 2.58026	Sterimol/B2: 2.62728	Sterimol/B3: 3.04273
Sterimol/B4: 9.59761	Sterimol/L: 16.0037

Surface and Volume Properties
Accessible surface: 584.53	Positive charged surface: 280.746	Negative charged surface: 303.784	Volume: 322.375
Hydrophobic surface: 536.826	Hydrophilic surface: 47.704

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.