MMsINC Database Search


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MMsINC code: MMs01629323

Type: Neutral
Formula: C₁₇H₁₅Cl₂NO₃

SMILES:

Clc1cc(NC(=O)COc2ccc(cc2)C(=O)CC)cc(Cl)c1

InChI:

InChI=1/C17H15Cl2NO3/c1-2-16(21)11-3-5-15(6-4-11)23-10-17(22)20-14-8-12(18)7-13(19)9-14/h3-9H,2,10H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.6743 kcal/mol

Physical Properties
Molecular Weight: 352.217 g/mol	logS: -5.41431	SlogP: 4.6036	Reactive groups: 0

Topological Properties
Globularity: 0.0108016	Sterimol/B1: 2.76924	Sterimol/B2: 3.19954	Sterimol/B3: 3.62296
Sterimol/B4: 5.45142	Sterimol/L: 19.5545

Surface and Volume Properties
Accessible surface: 603.494	Positive charged surface: 287.603	Negative charged surface: 315.891	Volume: 309.625
Hydrophobic surface: 495.475	Hydrophilic surface: 108.019

Pharmacophoric Properties
Hydrogen bond donors: 1	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.