MMsINC Database Search


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MMsINC code: MMs01627279

Type: Neutral
Formula: C₁₈H₁₉NO₅

SMILES:

O(C)c1cc(ccc1OC)C(=O)Nc1cc(ccc1C)C(OC)=O

InChI:

InChI=1/C18H19NO5/c1-11-5-6-13(18(21)24-4)9-14(11)19-17(20)12-7-8-15(22-2)16(10-12)23-3/h5-10H,1-4H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.254 kcal/mol

Physical Properties
Molecular Weight: 329.352 g/mol	logS: -3.99783	SlogP: 3.05112	Reactive groups: 0

Topological Properties
Globularity: 0.0250072	Sterimol/B1: 2.1217	Sterimol/B2: 2.59576	Sterimol/B3: 3.82106
Sterimol/B4: 9.5339	Sterimol/L: 18.3207

Surface and Volume Properties
Accessible surface: 602.692	Positive charged surface: 436.563	Negative charged surface: 166.13	Volume: 310.75
Hydrophobic surface: 515.947	Hydrophilic surface: 86.745

Pharmacophoric Properties
Hydrogen bond donors: 1	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.