MMsINC Database Search


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MMsINC code: MMs02758366

Type: Neutral
Formula: C₂₄H₂₅NO

SMILES:

O=C1N(CCc2c1cc(cc2)C(C)(C)C)Cc1c2c(ccc1)cccc2

InChI:

InChI=1/C24H25NO/c1-24(2,3)20-12-11-18-13-14-25(23(26)22(18)15-20)16-19-9-6-8-17-7-4-5-10-21(17)19/h4-12,15H,13-14,16H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.089 kcal/mol

Physical Properties
Molecular Weight: 343.47 g/mol	logS: -7.27425	SlogP: 5.60217	Reactive groups: 0

Topological Properties
Globularity: 0.0996812	Sterimol/B1: 3.97393	Sterimol/B2: 4.13019	Sterimol/B3: 4.39718
Sterimol/B4: 5.1799	Sterimol/L: 17.9068

Surface and Volume Properties
Accessible surface: 616.522	Positive charged surface: 372.285	Negative charged surface: 232.743	Volume: 357
Hydrophobic surface: 531.115	Hydrophilic surface: 85.407

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.