MMsINC Database Search


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MMsINC code: MMs03888501

Type: Neutral
Formula: C₂₄H₂₉NO₂

SMILES:

O=C1N(C2CCCCCCCCCCC2)C(=O)c2c3c1cccc3ccc2

InChI:

InChI=1/C24H29NO2/c26-23-20-16-10-12-18-13-11-17-21(22(18)20)24(27)25(23)19-14-8-6-4-2-1-3-5-7-9-15-19/h10-13,16-17,19H,1-9,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=560.885 kcal/mol

Physical Properties
Molecular Weight: 363.501 g/mol	logS: -8.37507	SlogP: 6.1091	Reactive groups: 0

Topological Properties
Globularity: 0.404123	Sterimol/B1: 2.55521	Sterimol/B2: 4.72088	Sterimol/B3: 5.18741
Sterimol/B4: 7.9624	Sterimol/L: 12.0577

Surface and Volume Properties
Accessible surface: 535.367	Positive charged surface: 354.602	Negative charged surface: 171.152	Volume: 354.5
Hydrophobic surface: 507.607	Hydrophilic surface: 27.76

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: 0

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Ions/Tautomers related molecules: no related molecules available.