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MMsINC code: MMs01385747

Type: Neutral
Formula: C₁₈H₁₅NO₆

SMILES:

O(C)c1c(cc(cc1OC)C(O)=O)CN1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C18H15NO6/c1-24-14-8-10(18(22)23)7-11(15(14)25-2)9-19-16(20)12-5-3-4-6-13(12)17(19)21/h3-8H,9H2,1-2H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.523 kcal/mol

Physical Properties
Molecular Weight: 341.319 g/mol	logS: -3.77279	SlogP: 2.4646	Reactive groups: 0

Topological Properties
Globularity: 0.166986	Sterimol/B1: 2.1943	Sterimol/B2: 4.02697	Sterimol/B3: 6.30266
Sterimol/B4: 7.04248	Sterimol/L: 14.0498

Surface and Volume Properties
Accessible surface: 559.972	Positive charged surface: 373.101	Negative charged surface: 186.871	Volume: 301.875
Hydrophobic surface: 387.626	Hydrophilic surface: 172.346

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs01385748
ENAMINE-ZINC03345149