MMsINC Database Search


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MMsINC code: MMs02441436

Type: Neutral
Formula: C₂₄H₂₅NO

SMILES:

OC(C1N(C)C1c1ccccc1)(c1ccc(cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C24H25NO/c1-17-9-13-20(14-10-17)24(26,21-15-11-18(2)12-16-21)23-22(25(23)3)19-7-5-4-6-8-19/h4-16,22-23,26H,1-3H3/t22-,23+,25+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=167.75 kcal/mol

Physical Properties
Molecular Weight: 343.47 g/mol	logS: -5.68627	SlogP: 5.00164	Reactive groups: 1

Topological Properties
Globularity: 0.322389	Sterimol/B1: 2.19479	Sterimol/B2: 2.92133	Sterimol/B3: 6.7844
Sterimol/B4: 10.2918	Sterimol/L: 14.5678

Surface and Volume Properties
Accessible surface: 605.339	Positive charged surface: 370.032	Negative charged surface: 235.308	Volume: 362.625
Hydrophobic surface: 584.901	Hydrophilic surface: 20.438

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.