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MMsINC code: MMs02673145

Type: Neutral
Formula: C₂₀H₁₇NO₃

SMILES:

OC(=O)c1ccccc1C(=O)NC(C)c1c2c(ccc1)cccc2

InChI:

InChI=1/C20H17NO3/c1-13(15-12-6-8-14-7-2-3-9-16(14)15)21-19(22)17-10-4-5-11-18(17)20(23)24/h2-13H,1H3,(H,21,22)(H,23,24)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.8591 kcal/mol

Physical Properties
Molecular Weight: 319.36 g/mol	logS: -5.4734	SlogP: 4.1245	Reactive groups: 0

Topological Properties
Globularity: 0.123709	Sterimol/B1: 2.10875	Sterimol/B2: 4.48429	Sterimol/B3: 5.45755
Sterimol/B4: 6.04101	Sterimol/L: 15.9525

Surface and Volume Properties
Accessible surface: 563.808	Positive charged surface: 299.384	Negative charged surface: 254.142	Volume: 309.625
Hydrophobic surface: 441.044	Hydrophilic surface: 122.764

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02673146
PUBCHEM-ZINC00395554