MMsINC Database Search


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MMsINC code: MMs00672373

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O=C(Nc1ccc(NC(=O)c2ccc(cc2)C(C)C)cc1)c1cc(ccc1)C

InChI:

InChI=1/C24H24N2O2/c1-16(2)18-7-9-19(10-8-18)23(27)25-21-11-13-22(14-12-21)26-24(28)20-6-4-5-17(3)15-20/h4-16H,1-3H3,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.736 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -7.30314	SlogP: 5.62302	Reactive groups: 0

Topological Properties
Globularity: 0.0180448	Sterimol/B1: 2.09521	Sterimol/B2: 2.83481	Sterimol/B3: 4.07637
Sterimol/B4: 6.3546	Sterimol/L: 22.9011

Surface and Volume Properties
Accessible surface: 692.134	Positive charged surface: 406.094	Negative charged surface: 286.04	Volume: 379.25
Hydrophobic surface: 577.74	Hydrophilic surface: 114.394

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.