MMsINC Database Search


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MMsINC code: MMs00940561

Type: Neutral
Formula: C₂₄H₂₃N₃O

SMILES:

O=C(Nc1ccccc1)N(Cc1ccccc1)Cc1c2c(n(c1)C)cccc2

InChI:

InChI=1/C24H23N3O/c1-26-17-20(22-14-8-9-15-23(22)26)18-27(16-19-10-4-2-5-11-19)24(28)25-21-12-6-3-7-13-21/h2-15,17H,16,18H2,1H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.0615 kcal/mol

Physical Properties
Molecular Weight: 369.468 g/mol	logS: -5.04191	SlogP: 6.3046	Reactive groups: 0

Topological Properties
Globularity: 0.108841	Sterimol/B1: 2.94253	Sterimol/B2: 4.64384	Sterimol/B3: 5.31722
Sterimol/B4: 8.54815	Sterimol/L: 14.3902

Surface and Volume Properties
Accessible surface: 648.468	Positive charged surface: 393.345	Negative charged surface: 250.369	Volume: 376.625
Hydrophobic surface: 612.295	Hydrophilic surface: 36.173

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.