MMsINC Database Search


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MMsINC code: MMs00666439

Type: Neutral
Formula: C₁₈H₁₈ClNO₅

SMILES:

Clc1ccc(cc1)CC(=O)Nc1cc(OC)c(OC)cc1C(OC)=O

InChI:

InChI=1/C18H18ClNO5/c1-23-15-9-13(18(22)25-3)14(10-16(15)24-2)20-17(21)8-11-4-6-12(19)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.141 kcal/mol

Physical Properties
Molecular Weight: 363.797 g/mol	logS: -4.63312	SlogP: 3.32497	Reactive groups: 0

Topological Properties
Globularity: 0.0608185	Sterimol/B1: 3.20536	Sterimol/B2: 4.17339	Sterimol/B3: 4.75452
Sterimol/B4: 7.80701	Sterimol/L: 17.2551

Surface and Volume Properties
Accessible surface: 630.739	Positive charged surface: 435.538	Negative charged surface: 195.201	Volume: 328.25
Hydrophobic surface: 557.918	Hydrophilic surface: 72.821

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.