MMsINC Database Search


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MMsINC code: MMs02704234

Type: Neutral
Formula: C₁₇H₁₆ClNO₃

SMILES:

Clc1ccc(NC(=O)CCc2ccccc2)cc1C(OC)=O

InChI:

InChI=1/C17H16ClNO3/c1-22-17(21)14-11-13(8-9-15(14)18)19-16(20)10-7-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.6422 kcal/mol

Physical Properties
Molecular Weight: 317.772 g/mol	logS: -4.41428	SlogP: 3.69787	Reactive groups: 0

Topological Properties
Globularity: 0.0355949	Sterimol/B1: 2.32549	Sterimol/B2: 3.22619	Sterimol/B3: 3.49793
Sterimol/B4: 8.5809	Sterimol/L: 17.5813

Surface and Volume Properties
Accessible surface: 577.293	Positive charged surface: 343.88	Negative charged surface: 233.413	Volume: 295.75
Hydrophobic surface: 505.484	Hydrophilic surface: 71.809

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.