MMsINC Database Search


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MMsINC code: MMs01442410

Type: Neutral
Formula: C₂₄H₂₀N₂O₃

SMILES:

O(CC(=O)c1c2c([nH]c1)cccc2)c1ccccc1C(=O)NCc1ccccc1

InChI:

InChI=1/C24H20N2O3/c27-22(20-15-25-21-12-6-4-10-18(20)21)16-29-23-13-7-5-11-19(23)24(28)26-14-17-8-2-1-3-9-17/h1-13,15,25H,14,16H2,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.571 kcal/mol

Physical Properties
Molecular Weight: 384.435 g/mol	logS: -5.73844	SlogP: 4.626	Reactive groups: 0

Topological Properties
Globularity: 0.020787	Sterimol/B1: 3.61661	Sterimol/B2: 3.62726	Sterimol/B3: 4.14674
Sterimol/B4: 8.3049	Sterimol/L: 20.8494

Surface and Volume Properties
Accessible surface: 690.546	Positive charged surface: 378.411	Negative charged surface: 305.596	Volume: 372
Hydrophobic surface: 573.719	Hydrophilic surface: 116.827

Pharmacophoric Properties
Hydrogen bond donors: 2	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.