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MMsINC code: MMs00398708

Type: Neutral
Formula: C₂₃H₁₉NO₃

SMILES:

OC(=O)c1ccccc1-c1ccccc1C(=O)Nc1cc2CCCc2cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.455 kcal/mol

Physical Properties
Molecular Weight: 357.409 g/mol	logS: -7.11167	SlogP: 4.79274	Reactive groups: 0

Topological Properties
Globularity: 0.0957296	Sterimol/B1: 3.26039	Sterimol/B2: 3.32238	Sterimol/B3: 5.17092
Sterimol/B4: 8.90337	Sterimol/L: 15.4647

Surface and Volume Properties
Accessible surface: 607.442	Positive charged surface: 373.065	Negative charged surface: 232.717	Volume: 341.625
Hydrophobic surface: 526.714	Hydrophilic surface: 80.728

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00398709
ASINEX-ZINC04898516