MMsINC Database Search


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MMsINC code: MMs00772044

Type: Neutral
Formula: C₁₈H₂₀ClNO₅

SMILES:

Clc1cc(OC)c(NC(=O)Cc2cc(OC)c(OC)cc2)cc1OC

InChI:

InChI=1/C18H20ClNO5/c1-22-14-6-5-11(7-17(14)25-4)8-18(21)20-13-10-15(23-2)12(19)9-16(13)24-3/h5-7,9-10H,8H2,1-4H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.36 kcal/mol

Physical Properties
Molecular Weight: 365.813 g/mol	logS: -4.35215	SlogP: 3.55557	Reactive groups: 0

Topological Properties
Globularity: 0.130919	Sterimol/B1: 2.27779	Sterimol/B2: 4.31726	Sterimol/B3: 6.86611
Sterimol/B4: 6.92144	Sterimol/L: 16.587

Surface and Volume Properties
Accessible surface: 640.603	Positive charged surface: 480.861	Negative charged surface: 159.743	Volume: 334.875
Hydrophobic surface: 579.615	Hydrophilic surface: 60.988

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.