MMsINC Database Search


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MMsINC code: MMs00215721

Type: Neutral
Formula: C₂₃H₁₇NO₃

SMILES:

O1c2c(C=C(C(=O)N(Cc3ccccc3)c3ccccc3)C1=O)cccc2

InChI:

InChI=1/C23H17NO3/c25-22(20-15-18-11-7-8-14-21(18)27-23(20)26)24(19-12-5-2-6-13-19)16-17-9-3-1-4-10-17/h1-15H,16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.12 kcal/mol

Physical Properties
Molecular Weight: 355.393 g/mol	logS: -6.43893	SlogP: 4.4888	Reactive groups: 0

Topological Properties
Globularity: 0.121841	Sterimol/B1: 2.44274	Sterimol/B2: 3.22106	Sterimol/B3: 4.58389
Sterimol/B4: 8.53515	Sterimol/L: 16.2861

Surface and Volume Properties
Accessible surface: 581.942	Positive charged surface: 293.346	Negative charged surface: 288.596	Volume: 340.625
Hydrophobic surface: 504.107	Hydrophilic surface: 77.835

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.