MMsINC Database Search


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MMsINC code: MMs01203475

Type: Neutral
Formula: C₂₃H₃₀N₂O₃

SMILES:

O(C(=O)C1CCN(CC1)C(=O)c1n(Cc2ccccc2C)c(cc1C)C)CC

InChI:

InChI=1/C23H30N2O3/c1-5-28-23(27)19-10-12-24(13-11-19)22(26)21-17(3)14-18(4)25(21)15-20-9-7-6-8-16(20)2/h6-9,14,19H,5,10-13,15H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.6622 kcal/mol

Physical Properties
Molecular Weight: 382.504 g/mol	logS: -3.67509	SlogP: 4.14336	Reactive groups: 0

Topological Properties
Globularity: 0.099896	Sterimol/B1: 2.44587	Sterimol/B2: 4.86894	Sterimol/B3: 5.81403
Sterimol/B4: 6.42897	Sterimol/L: 18.747

Surface and Volume Properties
Accessible surface: 654.805	Positive charged surface: 442.415	Negative charged surface: 212.39	Volume: 392.875
Hydrophobic surface: 572.937	Hydrophilic surface: 81.868

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.