MMsINC Database Search


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MMsINC code: MMs00023632

Type: Neutral
Formula: C₂₃H₂₅NO

SMILES:

OCC(N(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C23H25NO/c25-19-23(16-20-10-4-1-5-11-20)24(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22/h1-15,23,25H,16-19H2/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=153.451 kcal/mol

Physical Properties
Molecular Weight: 331.459 g/mol	logS: -4.65106	SlogP: 4.82517	Reactive groups: 0

Topological Properties
Globularity: 0.562533	Sterimol/B1: 2.51349	Sterimol/B2: 5.02452	Sterimol/B3: 5.63027
Sterimol/B4: 8.91764	Sterimol/L: 11.8443

Surface and Volume Properties
Accessible surface: 562.201	Positive charged surface: 366.458	Negative charged surface: 195.742	Volume: 350.875
Hydrophobic surface: 520.157	Hydrophilic surface: 42.044

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

MMs00023633
ALFAAESAR-ZINC02556994