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MMsINC code: MMs03243753

Type: Neutral
Formula: C₂₀H₁₃ClN₂O₂

SMILES:

Clc1cc(C(=O)Nc2c3c(nc4c2cccc4)cccc3)c(O)cc1

InChI:

InChI=1/C20H13ClN2O2/c21-12-9-10-18(24)15(11-12)20(25)23-19-13-5-1-3-7-16(13)22-17-8-4-2-6-14(17)19/h1-11,24H,(H,22,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.63 kcal/mol

Physical Properties
Molecular Weight: 348.789 g/mol	logS: -6.16243	SlogP: 4.9993	Reactive groups: 0

Topological Properties
Globularity: 0.105864	Sterimol/B1: 2.4625	Sterimol/B2: 4.41856	Sterimol/B3: 4.91153
Sterimol/B4: 9.63239	Sterimol/L: 14.4711

Surface and Volume Properties
Accessible surface: 566.965	Positive charged surface: 269.731	Negative charged surface: 289.728	Volume: 314.25
Hydrophobic surface: 471.873	Hydrophilic surface: 95.092

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.