MMsINC Database Search


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MMsINC code: MMs01616331

Type: Neutral
Formula: C₁₇H₁₈ClNO₅

SMILES:

Clc1cc(NC(=O)c2ccc(OC)c(OC)c2OC)ccc1OC

InChI:

InChI=1/C17H18ClNO5/c1-21-13-7-5-10(9-12(13)18)19-17(20)11-6-8-14(22-2)16(24-4)15(11)23-3/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)=130.662 kcal/mol

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

Topological Properties
Globularity: 0.0399412	Sterimol/B1: 3.5496	Sterimol/B2: 3.95399	Sterimol/B3: 4.2292
Sterimol/B4: 5.54496	Sterimol/L: 18.05

Surface and Volume Properties
Accessible surface: 599.596	Positive charged surface: 434.56	Negative charged surface: 165.036	Volume: 317.875
Hydrophobic surface: 552.955	Hydrophilic surface: 46.641

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.