MMsINC Database Search


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MMsINC code: MMs01635492

Type: Neutral
Formula: C₂₃H₂₄N₂O

SMILES:

O=C(Nc1cc(ccc1C)C)C(Nc1ccc(cc1)C)c1ccccc1

InChI:

InChI=1/C23H24N2O/c1-16-10-13-20(14-11-16)24-22(19-7-5-4-6-8-19)23(26)25-21-15-17(2)9-12-18(21)3/h4-15,22,24H,1-3H3,(H,25,26)/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.553 kcal/mol

Physical Properties
Molecular Weight: 344.458 g/mol	logS: -6.05398	SlogP: 5.49926	Reactive groups: 0

Topological Properties
Globularity: 0.0828806	Sterimol/B1: 2.69681	Sterimol/B2: 4.05854	Sterimol/B3: 5.47246
Sterimol/B4: 8.14547	Sterimol/L: 17.2316

Surface and Volume Properties
Accessible surface: 646.285	Positive charged surface: 379.933	Negative charged surface: 266.352	Volume: 362.375
Hydrophobic surface: 613.439	Hydrophilic surface: 32.846

Pharmacophoric Properties
Hydrogen bond donors: 2	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.