MMsINC Database Search


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MMsINC code: MMs01461768

Type: Neutral
Formula: C₁₈H₂₀ClNO₅

SMILES:

Clc1cc(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)ccc1OC

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.174 kcal/mol

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

Topological Properties
Globularity: 0.100502	Sterimol/B1: 2.26421	Sterimol/B2: 4.82228	Sterimol/B3: 6.06477
Sterimol/B4: 6.67991	Sterimol/L: 17.5918

Surface and Volume Properties
Accessible surface: 636.56	Positive charged surface: 476.685	Negative charged surface: 159.875	Volume: 333.375
Hydrophobic surface: 572.971	Hydrophilic surface: 63.589

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.