MMsINC Database Search


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MMsINC code: MMs00652138

Type: Neutral
Formula: C₂₃H₂₃NO

SMILES:

O=C(NC(C)c1ccccc1)C(C)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H23NO/c1-18(19-12-6-3-7-13-19)24-22(25)23(2,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,1-2H3,(H,24,25)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.292 kcal/mol

Physical Properties
Molecular Weight: 329.443 g/mol	logS: -5.53182	SlogP: 4.9655	Reactive groups: 0

Topological Properties
Globularity: 0.149708	Sterimol/B1: 2.27477	Sterimol/B2: 3.5801	Sterimol/B3: 4.42756
Sterimol/B4: 9.32054	Sterimol/L: 15.7498

Surface and Volume Properties
Accessible surface: 599.083	Positive charged surface: 339.923	Negative charged surface: 259.16	Volume: 348.25
Hydrophobic surface: 553.166	Hydrophilic surface: 45.917

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.