MMsINC Database Search


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MMsINC code: MMs00658422

Type: Neutral
Formula: C₂₄H₂₅NO₂

SMILES:

O(C)c1ccc(cc1)CC(=O)NC(c1cc(ccc1C)C)c1ccccc1

InChI:

InChI=1/C24H25NO2/c1-17-9-10-18(2)22(15-17)24(20-7-5-4-6-8-20)25-23(26)16-19-11-13-21(27-3)14-12-19/h4-15,24H,16H2,1-3H3,(H,25,26)/t24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.916 kcal/mol

Physical Properties
Molecular Weight: 359.469 g/mol	logS: -6.1265	SlogP: 4.85581	Reactive groups: 0

Topological Properties
Globularity: 0.149899	Sterimol/B1: 2.35258	Sterimol/B2: 2.39432	Sterimol/B3: 7.00324
Sterimol/B4: 8.52548	Sterimol/L: 17.6752

Surface and Volume Properties
Accessible surface: 659.516	Positive charged surface: 415.323	Negative charged surface: 244.193	Volume: 374
Hydrophobic surface: 623.257	Hydrophilic surface: 36.259

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.