MMsINC Database Search


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MMsINC code: MMs03278383

Type: Neutral
Formula: C₂₄H₂₈N₂O

SMILES:

O=C(N(CCC)CCC)c1cc(nc2c1cccc2)-c1ccc(cc1)CC

InChI:

InChI=1/C24H28N2O/c1-4-15-26(16-5-2)24(27)21-17-23(19-13-11-18(6-3)12-14-19)25-22-10-8-7-9-20(21)22/h7-14,17H,4-6,15-16H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.8091 kcal/mol

Physical Properties
Molecular Weight: 360.501 g/mol	logS: -6.45584	SlogP: 5.72637	Reactive groups: 0

Topological Properties
Globularity: 0.138103	Sterimol/B1: 2.3444	Sterimol/B2: 2.3751	Sterimol/B3: 7.24646
Sterimol/B4: 11.1894	Sterimol/L: 16.6848

Surface and Volume Properties
Accessible surface: 673.782	Positive charged surface: 425.812	Negative charged surface: 241.037	Volume: 383.75
Hydrophobic surface: 569.116	Hydrophilic surface: 104.666

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.