MMsINC Database Search


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MMsINC code: MMs03452570

Type: Neutral
Formula: C₁₉H₁₃ClN₂O₂

SMILES:

Clc1ccc(NC(=O)c2c3[nH]c4c(c3ccc2O)cccc4)cc1

InChI:

InChI=1/C19H13ClN2O2/c20-11-5-7-12(8-6-11)21-19(24)17-16(23)10-9-14-13-3-1-2-4-15(13)22-18(14)17/h1-10,22-23H,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.2012 kcal/mol

Physical Properties
Molecular Weight: 336.778 g/mol	logS: -5.86379	SlogP: 4.9324	Reactive groups: 0

Topological Properties
Globularity: 0.0394662	Sterimol/B1: 3.28766	Sterimol/B2: 3.34015	Sterimol/B3: 3.56941
Sterimol/B4: 7.05505	Sterimol/L: 17.588

Surface and Volume Properties
Accessible surface: 566.607	Positive charged surface: 263.981	Negative charged surface: 290.999	Volume: 302.25
Hydrophobic surface: 472.91	Hydrophilic surface: 93.697

Pharmacophoric Properties
Hydrogen bond donors: 3	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.