MMsINC Database Search


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MMsINC code: MMs03085789

Type: Neutral
Formula: C₂₃H₂₈N₂O₂

SMILES:

O(C(=O)N1CCC2(CCCN(C2)Cc2ccccc2)CC1)c1ccccc1

InChI:

InChI=1/C23H28N2O2/c26-22(27-21-10-5-2-6-11-21)25-16-13-23(14-17-25)12-7-15-24(19-23)18-20-8-3-1-4-9-20/h1-6,8-11H,7,12-19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.267 kcal/mol

Physical Properties
Molecular Weight: 364.489 g/mol	logS: -4.18771	SlogP: 4.83	Reactive groups: 0

Topological Properties
Globularity: 0.0820151	Sterimol/B1: 2.91174	Sterimol/B2: 3.19157	Sterimol/B3: 4.44144
Sterimol/B4: 8.0315	Sterimol/L: 19.0728

Surface and Volume Properties
Accessible surface: 643.111	Positive charged surface: 432.09	Negative charged surface: 211.021	Volume: 374.875
Hydrophobic surface: 609.626	Hydrophilic surface: 33.485

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

MMs03085790
PUBCHEM-ZINC03956316