MMsINC Database Search


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MMsINC code: MMs00706060

Type: Neutral
Formula: C₂₃H₁₉NO₃

SMILES:

O(C)c1ccc(-n2c3c(cc(O)cc3)c(C(=O)c3ccccc3)c2C)cc1

InChI:

InChI=1/C23H19NO3/c1-15-22(23(26)16-6-4-3-5-7-16)20-14-18(25)10-13-21(20)24(15)17-8-11-19(27-2)12-9-17/h3-14,25H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.289 kcal/mol

Physical Properties
Molecular Weight: 357.409 g/mol	logS: -5.46728	SlogP: 4.88412	Reactive groups: 0

Topological Properties
Globularity: 0.10401	Sterimol/B1: 2.03942	Sterimol/B2: 3.41194	Sterimol/B3: 5.30507
Sterimol/B4: 8.73889	Sterimol/L: 17.5544

Surface and Volume Properties
Accessible surface: 625.435	Positive charged surface: 365.815	Negative charged surface: 256.322	Volume: 351.5
Hydrophobic surface: 533.201	Hydrophilic surface: 92.234

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.