MMsINC Database Search


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MMsINC code: MMs02760528

Type: Neutral
Formula: C₂₀H₁₅ClN₂O₂

SMILES:

Clc1ccc(cc1)\C=N\c1ccc(NC(=O)c2ccccc2O)cc1

InChI:

InChI=1/C20H15ClN2O2/c21-15-7-5-14(6-8-15)13-22-16-9-11-17(12-10-16)23-20(25)18-3-1-2-4-19(18)24/h1-13,24H,(H,23,25)/b22-13+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.6097 kcal/mol

Physical Properties
Molecular Weight: 350.805 g/mol	logS: -5.65195	SlogP: 5.0485	Reactive groups: 0

Topological Properties
Globularity: 0.0278976	Sterimol/B1: 2.49579	Sterimol/B2: 3.48108	Sterimol/B3: 4.34317
Sterimol/B4: 4.92708	Sterimol/L: 21.6972

Surface and Volume Properties
Accessible surface: 613.171	Positive charged surface: 313.398	Negative charged surface: 299.773	Volume: 325
Hydrophobic surface: 523.49	Hydrophilic surface: 89.681

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.