MMsINC Database Search


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MMsINC code: MMs01406424

Type: Neutral
Formula: C₂₃H₂₁NO₅

SMILES:

O(c1ccccc1C(OCC(=O)Nc1cc(ccc1OC)C)=O)c1ccccc1

InChI:

InChI=1/C23H21NO5/c1-16-12-13-21(27-2)19(14-16)24-22(25)15-28-23(26)18-10-6-7-11-20(18)29-17-8-4-3-5-9-17/h3-14H,15H2,1-2H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.495 kcal/mol

Physical Properties
Molecular Weight: 391.423 g/mol	logS: -6.07005	SlogP: 4.59142	Reactive groups: 0

Topological Properties
Globularity: 0.0259576	Sterimol/B1: 2.80936	Sterimol/B2: 3.12128	Sterimol/B3: 4.08639
Sterimol/B4: 8.7507	Sterimol/L: 20.3591

Surface and Volume Properties
Accessible surface: 702.441	Positive charged surface: 448.027	Negative charged surface: 254.415	Volume: 373.625
Hydrophobic surface: 622.76	Hydrophilic surface: 79.681

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.