MMsINC Database Search


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MMsINC code: MMs01601775

Type: Neutral
Formula: C₁₈H₁₈ClNO₄

SMILES:

Clc1cc(C)c(NC(=O)COC(=O)c2ccc(cc2)COC)cc1

InChI:

InChI=1/C18H18ClNO4/c1-12-9-15(19)7-8-16(12)20-17(21)11-24-18(22)14-5-3-13(4-6-14)10-23-2/h3-9H,10-11H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.696 kcal/mol

Physical Properties
Molecular Weight: 347.798 g/mol	logS: -4.774	SlogP: 3.85672	Reactive groups: 0

Topological Properties
Globularity: 0.0123743	Sterimol/B1: 2.42443	Sterimol/B2: 3.03454	Sterimol/B3: 3.38396
Sterimol/B4: 7.01029	Sterimol/L: 20.2426

Surface and Volume Properties
Accessible surface: 625.527	Positive charged surface: 371.757	Negative charged surface: 253.77	Volume: 321.375
Hydrophobic surface: 537.267	Hydrophilic surface: 88.26

Pharmacophoric Properties
Hydrogen bond donors: 1	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.