MMsINC Database Search


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MMsINC code: MMs00143516

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O=C(NC(C)c1ccccc1)c1cc(ccc1)C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C24H24N2O2/c1-17(19-10-5-3-6-11-19)25-23(27)21-14-9-15-22(16-21)24(28)26-18(2)20-12-7-4-8-13-20/h3-18H,1-2H3,(H,25,27)(H,26,28)/t17-,18+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.5547 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -5.86736	SlogP: 4.8596	Reactive groups: 0

Topological Properties
Globularity: 0.0371374	Sterimol/B1: 2.23272	Sterimol/B2: 2.38483	Sterimol/B3: 4.83992
Sterimol/B4: 6.37368	Sterimol/L: 20.4592

Surface and Volume Properties
Accessible surface: 695.855	Positive charged surface: 375.457	Negative charged surface: 320.399	Volume: 380.625
Hydrophobic surface: 590.141	Hydrophilic surface: 105.714

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.