MMsINC Database Search


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MMsINC code: MMs01448935

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(C(=O)c1cc(nc2c1cccc2)-c1ccc(cc1)C)CC(=O)N1CCCCC1

InChI:

InChI=1/C24H24N2O3/c1-17-9-11-18(12-10-17)22-15-20(19-7-3-4-8-21(19)25-22)24(28)29-16-23(27)26-13-5-2-6-14-26/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.257 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -6.04498	SlogP: 4.37952	Reactive groups: 0

Topological Properties
Globularity: 0.0155583	Sterimol/B1: 2.21784	Sterimol/B2: 3.06792	Sterimol/B3: 3.20491
Sterimol/B4: 12.398	Sterimol/L: 17.8625

Surface and Volume Properties
Accessible surface: 690.582	Positive charged surface: 432.739	Negative charged surface: 247.222	Volume: 380.875
Hydrophobic surface: 608.965	Hydrophilic surface: 81.617

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.