MMsINC Database Search


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MMsINC code: MMs00759543

Type: Neutral
Formula: C₂₃H₁₈N₂O₃

SMILES:

O=C1N(CC(=O)N2CCc3c(C2)cccc3)C(=O)c2c3c1cccc3ccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.9507 kcal/mol

Physical Properties
Molecular Weight: 370.408 g/mol	logS: -5.83096	SlogP: 3.28707	Reactive groups: 0

Topological Properties
Globularity: 0.0740314	Sterimol/B1: 3.7031	Sterimol/B2: 4.1879	Sterimol/B3: 4.66202
Sterimol/B4: 5.79477	Sterimol/L: 17.8864

Surface and Volume Properties
Accessible surface: 608.592	Positive charged surface: 343.42	Negative charged surface: 253.539	Volume: 346.625
Hydrophobic surface: 518.383	Hydrophilic surface: 90.209

Pharmacophoric Properties
Hydrogen bond donors: 0	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.