MMsINC Database Search


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MMsINC code: MMs01121094

Type: Neutral
Formula: C₂₃H₂₄N₂O

SMILES:

O=C(Nc1ccccc1C)N(C(C)c1ccccc1)Cc1ccccc1

InChI:

InChI=1/C23H24N2O/c1-18-11-9-10-16-22(18)24-23(26)25(17-20-12-5-3-6-13-20)19(2)21-14-7-4-8-15-21/h3-16,19H,17H2,1-2H3,(H,24,26)/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.3487 kcal/mol

Physical Properties
Molecular Weight: 344.458 g/mol	logS: -5.34568	SlogP: 6.15222	Reactive groups: 0

Topological Properties
Globularity: 0.248714	Sterimol/B1: 4.10838	Sterimol/B2: 4.45732	Sterimol/B3: 5.57137
Sterimol/B4: 6.7315	Sterimol/L: 14.2523

Surface and Volume Properties
Accessible surface: 579.816	Positive charged surface: 347.632	Negative charged surface: 232.184	Volume: 357.125
Hydrophobic surface: 537.765	Hydrophilic surface: 42.051

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

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Ions/Tautomers related molecules: no related molecules available.