MMsINC Database Search


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MMsINC code: MMs00341525

Type: Neutral
Formula: C₁₉H₁₈ClNO₄

SMILES:

Clc1cc2c(N(Cc3ccccc3OC)C(=O)C23OCCCO3)cc1

InChI:

InChI=1/C19H18ClNO4/c1-23-17-6-3-2-5-13(17)12-21-16-8-7-14(20)11-15(16)19(18(21)22)24-9-4-10-25-19/h2-3,5-8,11H,4,9-10,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.3958 kcal/mol

Physical Properties
Molecular Weight: 359.809 g/mol	logS: -4.8478	SlogP: 4.063	Reactive groups: 0

Topological Properties
Globularity: 0.1462	Sterimol/B1: 2.24813	Sterimol/B2: 3.77658	Sterimol/B3: 3.84241
Sterimol/B4: 10.2489	Sterimol/L: 12.5652

Surface and Volume Properties
Accessible surface: 565.452	Positive charged surface: 353.523	Negative charged surface: 211.93	Volume: 321.625
Hydrophobic surface: 528.511	Hydrophilic surface: 36.941

Pharmacophoric Properties
Hydrogen bond donors: 0	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.