MMsINC Database Search


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MMsINC code: MMs00454257

Type: Neutral
Formula: C₂₃H₁₈N₂O₃

SMILES:

O(C(=O)Nc1ccccc1)C=1c2c(NC(=O)C=1Cc1ccccc1)cccc2

InChI:

InChI=1/C23H18N2O3/c26-22-19(15-16-9-3-1-4-10-16)21(18-13-7-8-14-20(18)25-22)28-23(27)24-17-11-5-2-6-12-17/h1-14H,15H2,(H,24,27)(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.4714 kcal/mol

Physical Properties
Molecular Weight: 370.408 g/mol	logS: -6.10142	SlogP: 4.84117	Reactive groups: 0

Topological Properties
Globularity: 0.12771	Sterimol/B1: 2.30893	Sterimol/B2: 2.57533	Sterimol/B3: 5.21917
Sterimol/B4: 9.855	Sterimol/L: 16.6803

Surface and Volume Properties
Accessible surface: 621.306	Positive charged surface: 348.438	Negative charged surface: 272.867	Volume: 354.375
Hydrophobic surface: 534.996	Hydrophilic surface: 86.31

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.