MMsINC Database Search


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MMsINC code: MMs00153506

Type: Neutral
Formula: C₁₇H₁₈ClNO₅

SMILES:

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

InChI:

InChI=1/C17H18ClNO5/c1-21-10-5-6-11(14(7-10)22-2)17(20)19-13-9-15(23-3)12(18)8-16(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)=125.026 kcal/mol

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

Topological Properties
Globularity: 0.0396854	Sterimol/B1: 2.72046	Sterimol/B2: 3.96994	Sterimol/B3: 4.31125
Sterimol/B4: 7.60373	Sterimol/L: 17.2501

Surface and Volume Properties
Accessible surface: 604.253	Positive charged surface: 444.138	Negative charged surface: 160.115	Volume: 316.25
Hydrophobic surface: 552.375	Hydrophilic surface: 51.878

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.