MMsINC Database Search


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MMsINC code: MMs01176107

Type: Neutral
Formula: C₂₄H₂₃NO₂

SMILES:

O1CCc2cc(ccc12)C(=O)N(Cc1ccccc1C)Cc1ccccc1

InChI:

InChI=1/C24H23NO2/c1-18-7-5-6-10-22(18)17-25(16-19-8-3-2-4-9-19)24(26)21-11-12-23-20(15-21)13-14-27-23/h2-12,15H,13-14,16-17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=190.055 kcal/mol

Physical Properties
Molecular Weight: 357.453 g/mol	logS: -5.66899	SlogP: 5.30529	Reactive groups: 0

Topological Properties
Globularity: 0.111873	Sterimol/B1: 2.24212	Sterimol/B2: 3.31956	Sterimol/B3: 5.53201
Sterimol/B4: 10.1916	Sterimol/L: 14.6486

Surface and Volume Properties
Accessible surface: 602.269	Positive charged surface: 364.553	Negative charged surface: 237.716	Volume: 360
Hydrophobic surface: 555.137	Hydrophilic surface: 47.132

Pharmacophoric Properties
Hydrogen bond donors: 0	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.