MMsINC Database Search


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MMsINC code: MMs02673943

Type: Neutral
Formula: C₂₃H₂₄N₂O

SMILES:

O=C(Nc1cc(C)c(cc1)C)N(Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C23H24N2O/c1-18-13-14-22(15-19(18)2)24-23(26)25(16-20-9-5-3-6-10-20)17-21-11-7-4-8-12-21/h3-15H,16-17H2,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.2181 kcal/mol

Physical Properties
Molecular Weight: 344.458 g/mol	logS: -5.80584	SlogP: 6.07054	Reactive groups: 0

Topological Properties
Globularity: 0.11259	Sterimol/B1: 3.18184	Sterimol/B2: 5.12566	Sterimol/B3: 5.85044
Sterimol/B4: 8.28828	Sterimol/L: 15.0547

Surface and Volume Properties
Accessible surface: 630.765	Positive charged surface: 366.669	Negative charged surface: 264.096	Volume: 364
Hydrophobic surface: 601.202	Hydrophilic surface: 29.563

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.