MMsINC Database Search


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MMsINC code: MMs01755425

Type: Neutral
Formula: C₂₀H₂₃NO₂

SMILES:

O1CCC(CC1)(CNC(=O)c1ccc(cc1)C)c1ccccc1

InChI:

InChI=1/C20H23NO2/c1-16-7-9-17(10-8-16)19(22)21-15-20(11-13-23-14-12-20)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.7805 kcal/mol

Physical Properties
Molecular Weight: 309.409 g/mol	logS: -4.27844	SlogP: 3.47322	Reactive groups: 0

Topological Properties
Globularity: 0.136266	Sterimol/B1: 3.68313	Sterimol/B2: 4.39882	Sterimol/B3: 4.66381
Sterimol/B4: 6.09548	Sterimol/L: 15.0359

Surface and Volume Properties
Accessible surface: 564.259	Positive charged surface: 360.094	Negative charged surface: 204.165	Volume: 319.375
Hydrophobic surface: 518.018	Hydrophilic surface: 46.241

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.