MMsINC Database Search


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MMsINC code: MMs00157326

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O=C(NC(C)c1ccccc1)c1ccccc1C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C24H24N2O2/c1-17(19-11-5-3-6-12-19)25-23(27)21-15-9-10-16-22(21)24(28)26-18(2)20-13-7-4-8-14-20/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)=89.7312 kcal/mol

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

Topological Properties
Globularity: 0.109572	Sterimol/B1: 2.31796	Sterimol/B2: 6.11722	Sterimol/B3: 6.23935
Sterimol/B4: 6.32014	Sterimol/L: 17.1468

Surface and Volume Properties
Accessible surface: 678.255	Positive charged surface: 381.995	Negative charged surface: 296.26	Volume: 382.875
Hydrophobic surface: 598.683	Hydrophilic surface: 79.572

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.