MMsINC Database Search


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MMsINC code: MMs01275470

Type: Neutral
Formula: C₂₄H₁₉NO₃

SMILES:

O(c1cc(NC(=O)c2cc3c(cc2OC)cccc3)ccc1)c1ccccc1

InChI:

InChI=1/C24H19NO3/c1-27-23-15-18-9-6-5-8-17(18)14-22(23)24(26)25-19-10-7-13-21(16-19)28-20-11-3-2-4-12-20/h2-16H,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.167 kcal/mol

Physical Properties
Molecular Weight: 369.42 g/mol	logS: -7.06584	SlogP: 5.893	Reactive groups: 0

Topological Properties
Globularity: 0.0241157	Sterimol/B1: 2.49164	Sterimol/B2: 3.677	Sterimol/B3: 3.73698
Sterimol/B4: 9.17292	Sterimol/L: 20.3274

Surface and Volume Properties
Accessible surface: 646.053	Positive charged surface: 386.165	Negative charged surface: 250.606	Volume: 361.625
Hydrophobic surface: 610.502	Hydrophilic surface: 35.551

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.