MMsINC Database Search


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MMsINC code: MMs01177675

Type: Neutral
Formula: C₂₄H₂₁N₃O

SMILES:

O=C(N(Cc1ccncc1)CCc1ccccc1)c1nccc2c1cccc2

InChI:

InChI=1/C24H21N3O/c28-24(23-22-9-5-4-8-21(22)12-16-26-23)27(18-20-10-14-25-15-11-20)17-13-19-6-2-1-3-7-19/h1-12,14-16H,13,17-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.356 kcal/mol

Physical Properties
Molecular Weight: 367.452 g/mol	logS: -4.53681	SlogP: 4.78127	Reactive groups: 0

Topological Properties
Globularity: 0.194982	Sterimol/B1: 2.43667	Sterimol/B2: 4.68483	Sterimol/B3: 4.96575
Sterimol/B4: 9.62928	Sterimol/L: 14.5109

Surface and Volume Properties
Accessible surface: 617.901	Positive charged surface: 383.934	Negative charged surface: 229.482	Volume: 372.25
Hydrophobic surface: 561.848	Hydrophilic surface: 56.053

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.