MMsINC Database Search


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MMsINC code: MMs01620910

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(CC(=O)Nc1ccc(cc1)C(=O)N(C)C)c1ccccc1Cc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.977 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -5.27476	SlogP: 3.99667	Reactive groups: 0

Topological Properties
Globularity: 0.0688652	Sterimol/B1: 3.23477	Sterimol/B2: 4.68598	Sterimol/B3: 4.98294
Sterimol/B4: 6.79568	Sterimol/L: 19.0901

Surface and Volume Properties
Accessible surface: 692.935	Positive charged surface: 454.17	Negative charged surface: 238.765	Volume: 386.75
Hydrophobic surface: 619.406	Hydrophilic surface: 73.529

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.