MMsINC Database Search


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MMsINC code: MMs01312483

Type: Neutral
Formula: C₁₉H₂₀ClNO₇

SMILES:

Clc1cc(NC(=O)COC(=O)c2ccc(OC)c(OC)c2OC)ccc1OC

InChI:

InChI=1/C19H20ClNO7/c1-24-14-7-5-11(9-13(14)20)21-16(22)10-28-19(23)12-6-8-15(25-2)18(27-4)17(12)26-3/h5-9H,10H2,1-4H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.779 kcal/mol

Physical Properties
Molecular Weight: 409.822 g/mol	logS: -4.69885	SlogP: 3.1699	Reactive groups: 0

Topological Properties
Globularity: 0.026527	Sterimol/B1: 3.05511	Sterimol/B2: 3.59178	Sterimol/B3: 4.3067
Sterimol/B4: 7.43167	Sterimol/L: 20.1777

Surface and Volume Properties
Accessible surface: 684.819	Positive charged surface: 491.869	Negative charged surface: 192.95	Volume: 362.5
Hydrophobic surface: 591.698	Hydrophilic surface: 93.121

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	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.