MMsINC Database Search


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MMsINC code: MMs00668596

Type: Neutral
Formula: C₁₇H₁₈ClNO₅

SMILES:

Clc1cc(NC(=O)c2ccc(OC)cc2OC)c(OC)cc1OC

InChI:

InChI=1/C17H18ClNO5/c1-21-10-5-6-11(14(7-10)22-2)17(20)19-13-8-12(18)15(23-3)9-16(13)24-4/h5-9H,1-4H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.012 kcal/mol

Physical Properties
Molecular Weight: 351.786 g/mol	logS: -4.29068	SlogP: 3.6267	Reactive groups: 0

Topological Properties
Globularity: 0.0243481	Sterimol/B1: 3.00966	Sterimol/B2: 3.02197	Sterimol/B3: 3.3696
Sterimol/B4: 8.17335	Sterimol/L: 17.9019

Surface and Volume Properties
Accessible surface: 605.029	Positive charged surface: 442.139	Negative charged surface: 162.89	Volume: 314.625
Hydrophobic surface: 549.618	Hydrophilic surface: 55.411

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.