MMsINC Database Search


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MMsINC code: MMs02573605

Type: Neutral
Formula: C₁₉H₁₆ClNO₄

SMILES:

Clc1ccc(cc1)COC(=O)c1cc2c(cc1)C(=O)N(C(C)C)C2=O

InChI:

InChI=1/C19H16ClNO4/c1-11(2)21-17(22)15-8-5-13(9-16(15)18(21)23)19(24)25-10-12-3-6-14(20)7-4-12/h3-9,11H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.9408 kcal/mol

Physical Properties
Molecular Weight: 357.793 g/mol	logS: -5.47307	SlogP: 3.9678	Reactive groups: 0

Topological Properties
Globularity: 0.0431879	Sterimol/B1: 2.37483	Sterimol/B2: 3.9071	Sterimol/B3: 4.8744
Sterimol/B4: 4.87885	Sterimol/L: 19.5501

Surface and Volume Properties
Accessible surface: 613.19	Positive charged surface: 316.975	Negative charged surface: 296.215	Volume: 324.875
Hydrophobic surface: 462.564	Hydrophilic surface: 150.626

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.