MMsINC Database Search


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MMsINC code: MMs00656236

Type: Neutral
Formula: C₂₄H₂₅NO₂

SMILES:

O(CC)c1cc(ccc1)C(=O)NC(c1cc(ccc1C)C)c1ccccc1

InChI:

InChI=1/C24H25NO2/c1-4-27-21-12-8-11-20(16-21)24(26)25-23(19-9-6-5-7-10-19)22-15-17(2)13-14-18(22)3/h5-16,23H,4H2,1-3H3,(H,25,26)/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.8083 kcal/mol

Physical Properties
Molecular Weight: 359.469 g/mol	logS: -6.39224	SlogP: 5.31704	Reactive groups: 0

Topological Properties
Globularity: 0.102721	Sterimol/B1: 3.64734	Sterimol/B2: 4.70816	Sterimol/B3: 5.7535
Sterimol/B4: 6.33882	Sterimol/L: 18.5501

Surface and Volume Properties
Accessible surface: 667.831	Positive charged surface: 397.562	Negative charged surface: 270.269	Volume: 373.375
Hydrophobic surface: 611.969	Hydrophilic surface: 55.862

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.