MMsINC Database Search


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MMsINC code: MMs00669401

Type: Neutral
Formula: C₂₃H₁₆N₂O₃

SMILES:

O=C1N(CC(=O)NC2c3c(-c4c2cccc4)cccc3)C(=O)c2c1cccc2

InChI:

InChI=1/C23H16N2O3/c26-20(13-25-22(27)18-11-5-6-12-19(18)23(25)28)24-21-16-9-3-1-7-14(16)15-8-2-4-10-17(15)21/h1-12,21H,13H2,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.1499 kcal/mol

Physical Properties
Molecular Weight: 368.392 g/mol	logS: -6.42398	SlogP: 3.2643	Reactive groups: 0

Topological Properties
Globularity: 0.032866	Sterimol/B1: 3.03075	Sterimol/B2: 3.44505	Sterimol/B3: 3.72076
Sterimol/B4: 8.04524	Sterimol/L: 17.6562

Surface and Volume Properties
Accessible surface: 623.093	Positive charged surface: 325.049	Negative charged surface: 287.18	Volume: 343.625
Hydrophobic surface: 510.599	Hydrophilic surface: 112.494

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