MMsINC Database Search


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MMsINC code: MMs00815413

Type: Neutral
Formula: C₂₄H₂₆N₂O₂

SMILES:

O(C)c1cc(ccc1O)C1N(CCN1Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C24H26N2O2/c1-28-23-16-21(12-13-22(23)27)24-25(17-19-8-4-2-5-9-19)14-15-26(24)18-20-10-6-3-7-11-20/h2-13,16,24,27H,14-15,17-18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.154 kcal/mol

Physical Properties
Molecular Weight: 374.484 g/mol	logS: -4.40802	SlogP: 5.0457	Reactive groups: 0

Topological Properties
Globularity: 0.160459	Sterimol/B1: 1.969	Sterimol/B2: 2.49146	Sterimol/B3: 6.55658
Sterimol/B4: 10.3008	Sterimol/L: 16.514

Surface and Volume Properties
Accessible surface: 660.438	Positive charged surface: 447.407	Negative charged surface: 213.031	Volume: 384.375
Hydrophobic surface: 591.87	Hydrophilic surface: 68.568

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.