MMsINC Database Search


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MMsINC code: MMs01701788

Type: Neutral
Formula: C₂₃H₁₉NO₃

SMILES:

o1c2c(cccc2)c(COc2ccccc2)c1C(=O)NCc1ccccc1

InChI:

InChI=1/C23H19NO3/c25-23(24-15-17-9-3-1-4-10-17)22-20(16-26-18-11-5-2-6-12-18)19-13-7-8-14-21(19)27-22/h1-14H,15-16H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.0541 kcal/mol

Physical Properties
Molecular Weight: 357.409 g/mol	logS: -6.71544	SlogP: 5.4746	Reactive groups: 0

Topological Properties
Globularity: 0.0731806	Sterimol/B1: 3.64581	Sterimol/B2: 3.97358	Sterimol/B3: 4.92765
Sterimol/B4: 8.70289	Sterimol/L: 17.3238

Surface and Volume Properties
Accessible surface: 664.172	Positive charged surface: 376.091	Negative charged surface: 281.824	Volume: 352.75
Hydrophobic surface: 607.13	Hydrophilic surface: 57.042

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.