MMsINC Database Search


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MMsINC code: MMs00000588

Type: Neutral
Formula: C₂₄H₂₆N₂O

SMILES:

O(Cc1ccccc1)c1ccc(cc1)C(N1CCNCC1)c1ccccc1

InChI:

InChI=1/C24H26N2O/c1-3-7-20(8-4-1)19-27-23-13-11-22(12-14-23)24(21-9-5-2-6-10-21)26-17-15-25-16-18-26/h1-14,24-25H,15-19H2/t24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.902 kcal/mol

Physical Properties
Molecular Weight: 358.485 g/mol	logS: -4.75829	SlogP: 4.6221	Reactive groups: 0

Topological Properties
Globularity: 0.0755258	Sterimol/B1: 4.08808	Sterimol/B2: 4.51539	Sterimol/B3: 5.74176
Sterimol/B4: 6.31346	Sterimol/L: 18.1191

Surface and Volume Properties
Accessible surface: 659.088	Positive charged surface: 442.765	Negative charged surface: 216.323	Volume: 373.625
Hydrophobic surface: 616.58	Hydrophilic surface: 42.508

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00000589
ACDBLOCKS-ZINC02534000