MMsINC Database Search


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MMsINC code: MMs01273370

Type: Neutral
Formula: C₁₀H₁₁ClN₂O₂

SMILES:

ClC(C(=O)NC(=O)NC)c1ccccc1

InChI:

InChI=1/C10H11ClN2O2/c1-12-10(15)13-9(14)8(11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H2,12,13,14,15)/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.255 kcal/mol

Physical Properties
Molecular Weight: 226.663 g/mol	logS: -2.52482	SlogP: 1.5176	Reactive groups: 0

Topological Properties
Globularity: 0.0907691	Sterimol/B1: 2.4463	Sterimol/B2: 3.45148	Sterimol/B3: 4.08733
Sterimol/B4: 5.76102	Sterimol/L: 13.9471

Surface and Volume Properties
Accessible surface: 435.346	Positive charged surface: 251.832	Negative charged surface: 183.514	Volume: 203.375
Hydrophobic surface: 275.349	Hydrophilic surface: 159.997

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.