MMsINC Database Search


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MMsINC code: MMs00647674

Type: Neutral
Formula: C₂₄H₂₀N₂O₃

SMILES:

O=C1N(C(=O)c2c1cccc2)c1ccc(cc1)C(=O)Nc1ccccc1C(C)C

InChI:

InChI=1/C24H20N2O3/c1-15(2)18-7-5-6-10-21(18)25-22(27)16-11-13-17(14-12-16)26-23(28)19-8-3-4-9-20(19)24(26)29/h3-15H,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.549 kcal/mol

Physical Properties
Molecular Weight: 384.435 g/mol	logS: -6.91949	SlogP: 4.8629	Reactive groups: 0

Topological Properties
Globularity: 0.0185735	Sterimol/B1: 2.4424	Sterimol/B2: 2.50615	Sterimol/B3: 4.75428
Sterimol/B4: 7.39691	Sterimol/L: 20.1508

Surface and Volume Properties
Accessible surface: 646.284	Positive charged surface: 354.137	Negative charged surface: 292.147	Volume: 369
Hydrophobic surface: 509.979	Hydrophilic surface: 136.305

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.