MMsINC Database Search


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MMsINC code: MMs03011948

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(C(=O)c1ccc(-n2c(ccc2C)C)cc1)CC(=O)N1CCCc2c1cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.768 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -4.83056	SlogP: 4.23031	Reactive groups: 0

Topological Properties
Globularity: 0.0399469	Sterimol/B1: 2.38044	Sterimol/B2: 3.54395	Sterimol/B3: 6.32201
Sterimol/B4: 6.43719	Sterimol/L: 20.2335

Surface and Volume Properties
Accessible surface: 682.779	Positive charged surface: 420.988	Negative charged surface: 261.791	Volume: 384.625
Hydrophobic surface: 612.127	Hydrophilic surface: 70.652

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.