MMsINC Database Search


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MMsINC code: MMs01525672

Type: Neutral
Formula: C₁₆H₁₄ClNO₅

SMILES:

Clc1cc(NC(=O)COC(=O)c2ccc(O)cc2)ccc1OC

InChI:

InChI=1/C16H14ClNO5/c1-22-14-7-4-11(8-13(14)17)18-15(20)9-23-16(21)10-2-5-12(19)6-3-10/h2-8,19H,9H2,1H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.2247 kcal/mol

Physical Properties
Molecular Weight: 335.743 g/mol	logS: -4.18576	SlogP: 2.8497	Reactive groups: 0

Topological Properties
Globularity: 0.0126887	Sterimol/B1: 2.12552	Sterimol/B2: 2.57012	Sterimol/B3: 3.53393
Sterimol/B4: 6.46379	Sterimol/L: 18.3467

Surface and Volume Properties
Accessible surface: 582.315	Positive charged surface: 335.736	Negative charged surface: 246.58	Volume: 293.625
Hydrophobic surface: 441.797	Hydrophilic surface: 140.518

Pharmacophoric Properties
Hydrogen bond donors: 2	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.