MMsINC Database Search


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MMsINC code: MMs01381446

Type: Neutral
Formula: C₂₄H₂₃NO₂

SMILES:

O=C(c1cc(ccc1C)C)c1ccccc1C(=O)NCc1ccc(cc1)C

InChI:

InChI=1/C24H23NO2/c1-16-9-12-19(13-10-16)15-25-24(27)21-7-5-4-6-20(21)23(26)22-14-17(2)8-11-18(22)3/h4-14H,15H2,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.972 kcal/mol

Physical Properties
Molecular Weight: 357.453 g/mol	logS: -6.79348	SlogP: 5.03926	Reactive groups: 0

Topological Properties
Globularity: 0.165322	Sterimol/B1: 4.52643	Sterimol/B2: 4.57269	Sterimol/B3: 5.02153
Sterimol/B4: 7.02465	Sterimol/L: 16.1485

Surface and Volume Properties
Accessible surface: 650.455	Positive charged surface: 390.846	Negative charged surface: 259.609	Volume: 366.75
Hydrophobic surface: 606.135	Hydrophilic surface: 44.32

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.