MMsINC Database Search


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MMsINC code: MMs02810932

Type: Neutral
Formula: C₂₄H₂₆N₂O

SMILES:

O=C(N1CCC(CC1)C)c1cc(nc2c1cccc2)-c1cc(C)c(cc1)C

InChI:

InChI=1/C24H26N2O/c1-16-10-12-26(13-11-16)24(27)21-15-23(19-9-8-17(2)18(3)14-19)25-22-7-5-4-6-20(21)22/h4-9,14-16H,10-13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.189 kcal/mol

Physical Properties
Molecular Weight: 358.485 g/mol	logS: -6.62595	SlogP: 5.39074	Reactive groups: 0

Topological Properties
Globularity: 0.0806898	Sterimol/B1: 2.52665	Sterimol/B2: 3.92449	Sterimol/B3: 4.21395
Sterimol/B4: 10.1602	Sterimol/L: 16.0726

Surface and Volume Properties
Accessible surface: 640.867	Positive charged surface: 405.617	Negative charged surface: 226.33	Volume: 370.75
Hydrophobic surface: 576.057	Hydrophilic surface: 64.81

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.