MMsINC Database Search


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MMsINC code: MMs02217586

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O=C(NC(C(=O)N(Cc1ccccc1)Cc1ccccc1)C)c1ccccc1

InChI:

InChI=1/C24H24N2O2/c1-19(25-23(27)22-15-9-4-10-16-22)24(28)26(17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16,19H,17-18H2,1H3,(H,25,27)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.9374 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -5.4606	SlogP: 4.5667	Reactive groups: 0

Topological Properties
Globularity: 0.0858112	Sterimol/B1: 2.24996	Sterimol/B2: 5.40641	Sterimol/B3: 5.61584
Sterimol/B4: 8.38506	Sterimol/L: 17.0542

Surface and Volume Properties
Accessible surface: 650.232	Positive charged surface: 357.033	Negative charged surface: 293.199	Volume: 380.5
Hydrophobic surface: 571.955	Hydrophilic surface: 78.277

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.