MMsINC Database Search


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MMsINC code: MMs00868115

Type: Neutral
Formula: C₂₃H₂₇N₃O₂

SMILES:

O(C(=O)c1cnc2c(cc(cc2)C)c1Nc1ccc(N(CC)CC)cc1)CC

InChI:

InChI=1/C23H27N3O2/c1-5-26(6-2)18-11-9-17(10-12-18)25-22-19-14-16(4)8-13-21(19)24-15-20(22)23(27)28-7-3/h8-15H,5-7H2,1-4H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.343 kcal/mol

Physical Properties
Molecular Weight: 377.488 g/mol	logS: -5.35843	SlogP: 5.30972	Reactive groups: 0

Topological Properties
Globularity: 0.14836	Sterimol/B1: 2.54904	Sterimol/B2: 6.05559	Sterimol/B3: 6.55999
Sterimol/B4: 9.58016	Sterimol/L: 14.311

Surface and Volume Properties
Accessible surface: 687.352	Positive charged surface: 483.607	Negative charged surface: 201.561	Volume: 388.125
Hydrophobic surface: 544.611	Hydrophilic surface: 142.741

Pharmacophoric Properties
Hydrogen bond donors: 1	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.