MMsINC Database Search


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MMsINC code: MMs00630286

Type: Neutral
Formula: C₁₇H₁₈ClNO₄

SMILES:

Clc1cc(OC)c(NC(=O)c2cccc(OC)c2OC)cc1C

InChI:

InChI=1/C17H18ClNO4/c1-10-8-13(15(22-3)9-12(10)18)19-17(20)11-6-5-7-14(21-2)16(11)23-4/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)=119.916 kcal/mol

Physical Properties
Molecular Weight: 335.787 g/mol	logS: -4.40077	SlogP: 3.92652	Reactive groups: 0

Topological Properties
Globularity: 0.0235243	Sterimol/B1: 2.046	Sterimol/B2: 2.59447	Sterimol/B3: 3.0821
Sterimol/B4: 8.89482	Sterimol/L: 16.9586

Surface and Volume Properties
Accessible surface: 576.802	Positive charged surface: 396.162	Negative charged surface: 180.64	Volume: 310.125
Hydrophobic surface: 534.296	Hydrophilic surface: 42.506

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.