MMsINC Database Search


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MMsINC code: MMs00656235

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-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.4304 kcal/mol

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

Topological Properties
Globularity: 0.117344	Sterimol/B1: 3.98987	Sterimol/B2: 5.7072	Sterimol/B3: 5.92317
Sterimol/B4: 6.57483	Sterimol/L: 17.5973

Surface and Volume Properties
Accessible surface: 672.106	Positive charged surface: 396.385	Negative charged surface: 275.721	Volume: 375.375
Hydrophobic surface: 611.123	Hydrophilic surface: 60.983

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.