MMsINC Database Search


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MMsINC code: MMs01997634

Type: Neutral
Formula: C₂₃H₁₇NO₄

SMILES:

O1C(Cc2c(cccc2)C1=O)C(=O)Nc1ccccc1C(=O)c1ccccc1

InChI:

InChI=1/C23H17NO4/c25-21(15-8-2-1-3-9-15)18-12-6-7-13-19(18)24-22(26)20-14-16-10-4-5-11-17(16)23(27)28-20/h1-13,20H,14H2,(H,24,26)/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.319 kcal/mol

Physical Properties
Molecular Weight: 371.392 g/mol	logS: -6.01972	SlogP: 3.63777	Reactive groups: 0

Topological Properties
Globularity: 0.076211	Sterimol/B1: 2.83492	Sterimol/B2: 2.97672	Sterimol/B3: 5.34128
Sterimol/B4: 9.04697	Sterimol/L: 16.2183

Surface and Volume Properties
Accessible surface: 585.334	Positive charged surface: 301.931	Negative charged surface: 283.403	Volume: 349.875
Hydrophobic surface: 463.196	Hydrophilic surface: 122.138

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.