MMsINC Database Search


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MMsINC code: MMs00081201

Type: Neutral
Formula: C₁₁H₉ClN₂O₂

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)N

InChI:

InChI=1/C11H9ClN2O2/c1-6-9(11(13)15)10(14-16-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H2,13,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.2141 kcal/mol

Physical Properties
Molecular Weight: 236.658 g/mol	logS: -3.72621	SlogP: 2.40232	Reactive groups: 0

Topological Properties
Globularity: 0.113518	Sterimol/B1: 2.72879	Sterimol/B2: 3.73804	Sterimol/B3: 4.25051
Sterimol/B4: 4.61426	Sterimol/L: 12.3716

Surface and Volume Properties
Accessible surface: 422.082	Positive charged surface: 193.293	Negative charged surface: 228.789	Volume: 203.25
Hydrophobic surface: 312.457	Hydrophilic surface: 109.625

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.