MMsINC Database Search


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MMsINC code: MMs00675805

Type: Neutral
Formula: C₂₄H₂₄N₂O

SMILES:

O=C(NCCC=1CCCCC=1)c1cc(nc2c1cccc2)-c1ccccc1

InChI:

InChI=1/C24H24N2O/c27-24(25-16-15-18-9-3-1-4-10-18)21-17-23(19-11-5-2-6-12-19)26-22-14-8-7-13-20(21)22/h2,5-9,11-14,17H,1,3-4,10,15-16H2,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.8423 kcal/mol

Physical Properties
Molecular Weight: 356.469 g/mol	logS: -6.48208	SlogP: 5.5221	Reactive groups: 0

Topological Properties
Globularity: 0.0306631	Sterimol/B1: 2.48733	Sterimol/B2: 3.4942	Sterimol/B3: 3.64084
Sterimol/B4: 11.3588	Sterimol/L: 18.2108

Surface and Volume Properties
Accessible surface: 665.281	Positive charged surface: 406.226	Negative charged surface: 247.983	Volume: 367.875
Hydrophobic surface: 598.475	Hydrophilic surface: 66.806

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.