MMsINC Database Search


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MMsINC code: MMs01143851

Type: Neutral
Formula: C₂₄H₃₀N₂O₂

SMILES:

o1cccc1CN(C(=O)c1ccc(cc1)CCCCCC)Cc1n(ccc1)C

InChI:

InChI=1/C24H30N2O2/c1-3-4-5-6-9-20-12-14-21(15-13-20)24(27)26(19-23-11-8-17-28-23)18-22-10-7-16-25(22)2/h7-8,10-17H,3-6,9,18-19H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.8783 kcal/mol

Physical Properties
Molecular Weight: 378.516 g/mol	logS: -6.25256	SlogP: 6.47547	Reactive groups: 0

Topological Properties
Globularity: 0.103662	Sterimol/B1: 2.95003	Sterimol/B2: 5.24544	Sterimol/B3: 5.99981
Sterimol/B4: 7.42543	Sterimol/L: 18.0932

Surface and Volume Properties
Accessible surface: 703.317	Positive charged surface: 458.82	Negative charged surface: 244.497	Volume: 401.875
Hydrophobic surface: 615.819	Hydrophilic surface: 87.498

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.