MMsINC Database Search


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MMsINC code: MMs03212353

Type: Neutral
Formula: C₂₃H₂₄N₂O

SMILES:

O1c2c(ccc(N(C)C)c2)C(c2c1cc(N(C)C)cc2)c1ccccc1

InChI:

InChI=1/C23H24N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15,23H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.934 kcal/mol

Physical Properties
Molecular Weight: 344.458 g/mol	logS: -5.23404	SlogP: 5.1045	Reactive groups: 0

Topological Properties
Globularity: 0.103904	Sterimol/B1: 2.89266	Sterimol/B2: 4.01754	Sterimol/B3: 5.3067
Sterimol/B4: 8.64484	Sterimol/L: 16.1901

Surface and Volume Properties
Accessible surface: 622.075	Positive charged surface: 463.951	Negative charged surface: 158.125	Volume: 359.625
Hydrophobic surface: 621.324	Hydrophilic surface: 0.75100000000009

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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.