MMsINC Database Search


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MMsINC code: MMs00707516

Type: Neutral
Formula: C₂₃H₂₃NO₂

SMILES:

O(CCNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(cc1)C

InChI:

InChI=1/C23H23NO2/c1-18-12-14-21(15-13-18)26-17-16-24-23(25)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.009 kcal/mol

Physical Properties
Molecular Weight: 345.442 g/mol	logS: -5.55358	SlogP: 4.32212	Reactive groups: 0

Topological Properties
Globularity: 0.0686042	Sterimol/B1: 3.56036	Sterimol/B2: 4.15759	Sterimol/B3: 5.28691
Sterimol/B4: 5.64968	Sterimol/L: 19.0242

Surface and Volume Properties
Accessible surface: 643.403	Positive charged surface: 395.692	Negative charged surface: 247.71	Volume: 358.375
Hydrophobic surface: 610.134	Hydrophilic surface: 33.269

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.