MMsINC Database Search


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MMsINC code: MMs00650293

Type: Neutral
Formula: C₂₃H₁₅NO₅

SMILES:

O(C(=O)CN1C(=O)c2c(cccc2)C1=O)c1ccc(cc1)C(=O)c1ccccc1

InChI:

InChI=1/C23H15NO5/c25-20(14-24-22(27)18-8-4-5-9-19(18)23(24)28)29-17-12-10-16(11-13-17)21(26)15-6-2-1-3-7-15/h1-13H,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.973 kcal/mol

Physical Properties
Molecular Weight: 385.375 g/mol	logS: -6.14804	SlogP: 3.1192	Reactive groups: 0

Topological Properties
Globularity: 0.0664713	Sterimol/B1: 2.98686	Sterimol/B2: 3.62864	Sterimol/B3: 5.07942
Sterimol/B4: 5.67325	Sterimol/L: 19.7445

Surface and Volume Properties
Accessible surface: 643.06	Positive charged surface: 331.967	Negative charged surface: 311.093	Volume: 349.75
Hydrophobic surface: 495.227	Hydrophilic surface: 147.833

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.