MMsINC Database Search


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MMsINC code: MMs02299524

Type: Neutral
Formula: C₂₃H₁₇NO₃

SMILES:

O(C)c1ccc(-n2c3c(Cc4c(cccc4)C3=O)c3cc(O)ccc23)cc1

InChI:

InChI=1/C23H17NO3/c1-27-17-9-6-15(7-10-17)24-21-11-8-16(25)13-19(21)20-12-14-4-2-3-5-18(14)23(26)22(20)24/h2-11,13,25H,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.737 kcal/mol

Physical Properties
Molecular Weight: 355.393 g/mol	logS: -5.46424	SlogP: 4.47987	Reactive groups: 0

Topological Properties
Globularity: 0.0569568	Sterimol/B1: 2.73148	Sterimol/B2: 4.44585	Sterimol/B3: 4.76604
Sterimol/B4: 9.20018	Sterimol/L: 15.8403

Surface and Volume Properties
Accessible surface: 596.53	Positive charged surface: 367.087	Negative charged surface: 224.065	Volume: 338.75
Hydrophobic surface: 507.334	Hydrophilic surface: 89.196

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.