MMsINC Database Search


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MMsINC code: MMs01620770

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O(CCC)c1ccc(cc1)Cn1c2c(nc1-c1ccc(OC)cc1)cccc2

InChI:

InChI=1/C24H24N2O2/c1-3-16-28-21-12-8-18(9-13-21)17-26-23-7-5-4-6-22(23)25-24(26)19-10-14-20(27-2)15-11-19/h4-15H,3,16-17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.046 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -6.78189	SlogP: 5.8154	Reactive groups: 0

Topological Properties
Globularity: 0.10271	Sterimol/B1: 3.77707	Sterimol/B2: 4.46575	Sterimol/B3: 5.95851
Sterimol/B4: 9.31744	Sterimol/L: 16.4771

Surface and Volume Properties
Accessible surface: 670.781	Positive charged surface: 439.608	Negative charged surface: 231.173	Volume: 379
Hydrophobic surface: 596.767	Hydrophilic surface: 74.014

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.