MMsINC Database Search


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MMsINC code: MMs00589943

Type: Neutral
Formula: C₂₁H₁₉NO₄

SMILES:

O(c1cc(ccc1)C(=O)Nc1cc(OC)c(OC)cc1)c1ccccc1

InChI:

InChI=1/C21H19NO4/c1-24-19-12-11-16(14-20(19)25-2)22-21(23)15-7-6-10-18(13-15)26-17-8-4-3-5-9-17/h3-14H,1-2H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.062 kcal/mol

Physical Properties
Molecular Weight: 349.386 g/mol	logS: -5.23834	SlogP: 4.7484	Reactive groups: 0

Topological Properties
Globularity: 0.0726029	Sterimol/B1: 2.16483	Sterimol/B2: 2.90148	Sterimol/B3: 5.00368
Sterimol/B4: 8.34741	Sterimol/L: 18.2232

Surface and Volume Properties
Accessible surface: 633.339	Positive charged surface: 410.798	Negative charged surface: 222.541	Volume: 335.875
Hydrophobic surface: 578.112	Hydrophilic surface: 55.227

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.