MMsINC Database Search


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MMsINC code: MMs01185288

Type: Neutral
Formula: C₂₃H₂₅N₃O

SMILES:

O=C(N(Cc1nccn1Cc1ccccc1)C1CC1)CCc1ccccc1

InChI:

InChI=1/C23H25N3O/c27-23(14-11-19-7-3-1-4-8-19)26(21-12-13-21)18-22-24-15-16-25(22)17-20-9-5-2-6-10-20/h1-10,15-16,21H,11-14,17-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.038 kcal/mol

Physical Properties
Molecular Weight: 359.473 g/mol	logS: -3.78664	SlogP: 4.58797	Reactive groups: 0

Topological Properties
Globularity: 0.142858	Sterimol/B1: 2.34486	Sterimol/B2: 4.1945	Sterimol/B3: 5.0948
Sterimol/B4: 8.64946	Sterimol/L: 16.3315

Surface and Volume Properties
Accessible surface: 651.918	Positive charged surface: 407.259	Negative charged surface: 244.659	Volume: 376.625
Hydrophobic surface: 563.706	Hydrophilic surface: 88.212

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.