MMsINC Database Search


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MMsINC code: MMs00648299

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(CC(=O)NCc1ccccc1)c1ccc(cc1)C(=O)Nc1cccc(C)c1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.148 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -5.98011	SlogP: 4.51734	Reactive groups: 0

Topological Properties
Globularity: 0.0196387	Sterimol/B1: 2.20872	Sterimol/B2: 3.33434	Sterimol/B3: 4.15854
Sterimol/B4: 8.26874	Sterimol/L: 21.9118

Surface and Volume Properties
Accessible surface: 714.014	Positive charged surface: 419.386	Negative charged surface: 294.628	Volume: 385.625
Hydrophobic surface: 620.111	Hydrophilic surface: 93.903

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.