MMsINC Database Search


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MMsINC code: MMs00082411

Type: Neutral
Formula: C₁₈H₁₉ClN₂O₃

SMILES:

Clc1c(cc(OCC(=O)NNC(=O)c2ccccc2C)cc1C)C

InChI:

InChI=1/C18H19ClN2O3/c1-11-6-4-5-7-15(11)18(23)21-20-16(22)10-24-14-8-12(2)17(19)13(3)9-14/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.033 kcal/mol

Physical Properties
Molecular Weight: 346.814 g/mol	logS: -5.18937	SlogP: 3.10526	Reactive groups: 0

Topological Properties
Globularity: 0.00556431	Sterimol/B1: 2.48315	Sterimol/B2: 2.54465	Sterimol/B3: 2.54914
Sterimol/B4: 6.81305	Sterimol/L: 19.8188

Surface and Volume Properties
Accessible surface: 613.073	Positive charged surface: 339.852	Negative charged surface: 273.22	Volume: 324.125
Hydrophobic surface: 512.863	Hydrophilic surface: 100.21

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.