MMsINC Database Search


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MMsINC code: MMs02673893

Type: Neutral
Formula: C₂₃H₂₄N₂O

SMILES:

O=C(Nc1cc(cc(c1)C)C)N(Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C23H24N2O/c1-18-13-19(2)15-22(14-18)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)=69.7867 kcal/mol

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

Topological Properties
Globularity: 0.17837	Sterimol/B1: 2.34143	Sterimol/B2: 5.66272	Sterimol/B3: 7.06508
Sterimol/B4: 8.38962	Sterimol/L: 14.5598

Surface and Volume Properties
Accessible surface: 638.6	Positive charged surface: 375.692	Negative charged surface: 262.908	Volume: 366.125
Hydrophobic surface: 607.27	Hydrophilic surface: 31.33

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.