MMsINC Database Search


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MMsINC code: MMs01285834

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O(Cc1nc2c(n1CCCOc1ccccc1)cccc2)c1ccc(cc1)C

InChI:

InChI=1/C24H24N2O2/c1-19-12-14-21(15-13-19)28-18-24-25-22-10-5-6-11-23(22)26(24)16-7-17-27-20-8-3-2-4-9-20/h2-6,8-15H,7,16-18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.9132 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -5.8691	SlogP: 5.92562	Reactive groups: 0

Topological Properties
Globularity: 0.104733	Sterimol/B1: 2.28605	Sterimol/B2: 3.68725	Sterimol/B3: 3.95082
Sterimol/B4: 12.7466	Sterimol/L: 15.9308

Surface and Volume Properties
Accessible surface: 703.471	Positive charged surface: 411.905	Negative charged surface: 291.567	Volume: 379.75
Hydrophobic surface: 661.828	Hydrophilic surface: 41.643

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.