MMsINC Database Search


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MMsINC code: MMs01748321

Type: Neutral
Formula: C₁₁H₉ClN₂O₂

SMILES:

ClC=1NC(=O)N(Cc2ccccc2)C(=O)C=1

InChI:

InChI=1/C11H9ClN2O2/c12-9-6-10(15)14(11(16)13-9)7-8-4-2-1-3-5-8/h1-6H,7H2,(H,13,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-9.57059 kcal/mol

Physical Properties
Molecular Weight: 236.658 g/mol	logS: -3.195	SlogP: 2.1939	Reactive groups: 0

Topological Properties
Globularity: 0.155292	Sterimol/B1: 2.93401	Sterimol/B2: 3.96484	Sterimol/B3: 3.96627
Sterimol/B4: 4.61371	Sterimol/L: 12.7454

Surface and Volume Properties
Accessible surface: 413.183	Positive charged surface: 193.864	Negative charged surface: 219.319	Volume: 203.875
Hydrophobic surface: 304.251	Hydrophilic surface: 108.932

Pharmacophoric Properties
Hydrogen bond donors: 1	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.