MMsINC Database Search


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MMsINC code: MMs02275056

Type: Neutral
Formula: C₂₃H₂₃NO₄

SMILES:

O(C(C)C)c1cc2c(cc1OC)c1c(nc2)c2cc(OC)c(OC)cc2cc1

InChI:

InChI=1/C23H23NO4/c1-13(2)28-22-9-15-12-24-23-16(17(15)10-21(22)27-5)7-6-14-8-19(25-3)20(26-4)11-18(14)23/h6-13H,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.81 kcal/mol

Physical Properties
Molecular Weight: 377.44 g/mol	logS: -6.58512	SlogP: 5.3542	Reactive groups: 0

Topological Properties
Globularity: 0.0169624	Sterimol/B1: 2.45754	Sterimol/B2: 4.10948	Sterimol/B3: 4.82988
Sterimol/B4: 7.35063	Sterimol/L: 19.0652

Surface and Volume Properties
Accessible surface: 659.315	Positive charged surface: 488.29	Negative charged surface: 141.759	Volume: 368.125
Hydrophobic surface: 575.17	Hydrophilic surface: 84.145

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.