MMsINC Database Search


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MMsINC code: MMs00918093

Type: Neutral
Formula: C₂₄H₂₅NO₂

SMILES:

O(C(=O)c1ccc(cc1)-c1ncc(cc1)CC)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C24H25NO2/c1-5-17-6-15-22(25-16-17)18-7-9-19(10-8-18)23(26)27-21-13-11-20(12-14-21)24(2,3)4/h6-16H,5H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.542 kcal/mol

Physical Properties
Molecular Weight: 359.469 g/mol	logS: -7.33125	SlogP: 5.82767	Reactive groups: 0

Topological Properties
Globularity: 0.0244042	Sterimol/B1: 2.68844	Sterimol/B2: 3.73859	Sterimol/B3: 3.84789
Sterimol/B4: 4.55483	Sterimol/L: 22.6451

Surface and Volume Properties
Accessible surface: 671.24	Positive charged surface: 409.849	Negative charged surface: 256.496	Volume: 374.375
Hydrophobic surface: 550.727	Hydrophilic surface: 120.513

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.