MMsINC Database Search


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MMsINC code: MMs02843265

Type: Neutral
Formula: C₂₁H₂₃NO₅

SMILES:

O(C)c1c(OC)cc(cc1OC)Cc1c2cc(OC)c(OC)cc2cnc1

InChI:

InChI=1/C21H23NO5/c1-23-17-9-15-12-22-11-14(16(15)10-18(17)24-2)6-13-7-19(25-3)21(27-5)20(8-13)26-4/h7-12H,6H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=160.67 kcal/mol

Physical Properties
Molecular Weight: 369.417 g/mol	logS: -4.05945	SlogP: 3.86857	Reactive groups: 0

Topological Properties
Globularity: 0.108307	Sterimol/B1: 2.96442	Sterimol/B2: 3.46059	Sterimol/B3: 4.40121
Sterimol/B4: 8.53867	Sterimol/L: 15.6918

Surface and Volume Properties
Accessible surface: 611.002	Positive charged surface: 513.381	Negative charged surface: 87.0545	Volume: 354.875
Hydrophobic surface: 557.24	Hydrophilic surface: 53.762

Pharmacophoric Properties
Hydrogen bond donors: 0	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.