MMsINC Database Search


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MMsINC code: MMs00503516

Type: Neutral
Formula: C₁₄H₁₅ClN₂O₃

SMILES:

Clc1cc2OC(=O)N(c2cc1)C(=O)NC1CCCCC1

InChI:

InChI=1/C14H15ClN2O3/c15-9-6-7-11-12(8-9)20-14(19)17(11)13(18)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.0155 kcal/mol

Physical Properties
Molecular Weight: 294.738 g/mol	logS: -4.49033	SlogP: 3.7011	Reactive groups: 0

Topological Properties
Globularity: 0.0465937	Sterimol/B1: 2.47969	Sterimol/B2: 2.86773	Sterimol/B3: 3.64087
Sterimol/B4: 5.98902	Sterimol/L: 16.6095

Surface and Volume Properties
Accessible surface: 499.01	Positive charged surface: 288.526	Negative charged surface: 210.484	Volume: 257.875
Hydrophobic surface: 409.44	Hydrophilic surface: 89.57

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.