MMsINC Database Search


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MMsINC code: MMs01180537

Type: Neutral
Formula: C₂₄H₂₆N₂O

SMILES:

O=C(N(Cc1ccccc1C)C1CCCCC1)c1nc2c(cc1)cccc2

InChI:

InChI=1/C24H26N2O/c1-18-9-5-6-11-20(18)17-26(21-12-3-2-4-13-21)24(27)23-16-15-19-10-7-8-14-22(19)25-23/h5-11,14-16,21H,2-4,12-13,17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.518 kcal/mol

Physical Properties
Molecular Weight: 358.485 g/mol	logS: -5.87944	SlogP: 5.78472	Reactive groups: 0

Topological Properties
Globularity: 0.178133	Sterimol/B1: 2.37912	Sterimol/B2: 5.56009	Sterimol/B3: 5.59204
Sterimol/B4: 5.79672	Sterimol/L: 15.9315

Surface and Volume Properties
Accessible surface: 605.915	Positive charged surface: 376.828	Negative charged surface: 223.908	Volume: 367.5
Hydrophobic surface: 577.343	Hydrophilic surface: 28.572

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.