MMsINC Database Search


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MMsINC code: MMs00636003

Type: Neutral
Formula: C₂₃H₂₃NO₂

SMILES:

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

InChI:

InChI=1/C23H23NO2/c1-16-9-10-17(2)21(15-16)22(18-7-5-4-6-8-18)24-23(25)19-11-13-20(26-3)14-12-19/h4-15,22H,1-3H3,(H,24,25)/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.107 kcal/mol

Physical Properties
Molecular Weight: 345.442 g/mol	logS: -6.06503	SlogP: 4.92694	Reactive groups: 0

Topological Properties
Globularity: 0.154045	Sterimol/B1: 2.11973	Sterimol/B2: 4.02325	Sterimol/B3: 5.36734
Sterimol/B4: 9.78708	Sterimol/L: 15.8754

Surface and Volume Properties
Accessible surface: 630.524	Positive charged surface: 377.618	Negative charged surface: 252.907	Volume: 357.625
Hydrophobic surface: 591.456	Hydrophilic surface: 39.068

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.