MMsINC Database Search


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MMsINC code: MMs00098616

Type: Neutral
Formula: C₁₀H₁₁ClN₂O₂

SMILES:

Clc1ccc(cc1)C(=O)NNC(=O)CC

InChI:

InChI=1/C10H11ClN2O2/c1-2-9(14)12-13-10(15)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3,(H,12,14)(H,13,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.4003 kcal/mol

Physical Properties
Molecular Weight: 226.663 g/mol	logS: -2.75892	SlogP: 1.511	Reactive groups: 0

Topological Properties
Globularity: 0.0089635	Sterimol/B1: 2.37508	Sterimol/B2: 2.37615	Sterimol/B3: 3.39313
Sterimol/B4: 4.59571	Sterimol/L: 15.9085

Surface and Volume Properties
Accessible surface: 441.658	Positive charged surface: 224.792	Negative charged surface: 216.867	Volume: 202.375
Hydrophobic surface: 316.761	Hydrophilic surface: 124.897

Pharmacophoric Properties
Hydrogen bond donors: 2	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.