MMsINC Database Search


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MMsINC code: MMs01179806

Type: Neutral
Formula: C₂₃H₁₉NO₅

SMILES:

O1c2cc(ccc2OC1)CC(=O)N(Cc1cc2OCOc2cc1)c1ccccc1

InChI:

InChI=1/C23H19NO5/c25-23(12-16-6-8-19-21(10-16)28-14-26-19)24(18-4-2-1-3-5-18)13-17-7-9-20-22(11-17)29-15-27-20/h1-11H,12-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.782 kcal/mol

Physical Properties
Molecular Weight: 389.407 g/mol	logS: -4.98845	SlogP: 4.18627	Reactive groups: 0

Topological Properties
Globularity: 0.0997063	Sterimol/B1: 2.41523	Sterimol/B2: 3.30001	Sterimol/B3: 4.99966
Sterimol/B4: 9.85804	Sterimol/L: 17.7788

Surface and Volume Properties
Accessible surface: 637.858	Positive charged surface: 418.841	Negative charged surface: 219.016	Volume: 362.5
Hydrophobic surface: 503.964	Hydrophilic surface: 133.894

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.