MMsINC Database Search


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MMsINC code: MMs00669452

Type: Neutral
Formula: C₂₃H₂₃NO

SMILES:

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

InChI:

InChI=1/C23H23NO/c1-18-12-14-21(15-13-18)23(25)24-17-16-22(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)=87.004 kcal/mol

Physical Properties
Molecular Weight: 329.443 g/mol	logS: -5.67853	SlogP: 4.94702	Reactive groups: 0

Topological Properties
Globularity: 0.0800512	Sterimol/B1: 3.96208	Sterimol/B2: 4.35314	Sterimol/B3: 4.45882
Sterimol/B4: 6.91013	Sterimol/L: 17.3841

Surface and Volume Properties
Accessible surface: 631.353	Positive charged surface: 365.442	Negative charged surface: 265.91	Volume: 349.75
Hydrophobic surface: 588.446	Hydrophilic surface: 42.907

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