MMsINC Database Search


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MMsINC code: MMs01826053

Type: Neutral
Formula: C₂₄H₂₄N₂O

SMILES:

O=C(N1CCCCC1c1cccnc1)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H24N2O/c27-24(26-17-8-7-15-22(26)21-14-9-16-25-18-21)23(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-6,9-14,16,18,22-23H,7-8,15,17H2/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=154.93 kcal/mol

Physical Properties
Molecular Weight: 356.469 g/mol	logS: -4.39286	SlogP: 5.0628	Reactive groups: 0

Topological Properties
Globularity: 0.300527	Sterimol/B1: 2.9796	Sterimol/B2: 3.53197	Sterimol/B3: 5.73141
Sterimol/B4: 8.95925	Sterimol/L: 11.6981

Surface and Volume Properties
Accessible surface: 606.778	Positive charged surface: 402.713	Negative charged surface: 204.065	Volume: 361.625
Hydrophobic surface: 592.353	Hydrophilic surface: 14.425

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.