MMsINC Database Search


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MMsINC code: MMs02870735

Type: Neutral
Formula: C₂₅H₃₀N₂O

SMILES:

O=C(N(CCCC)CCCC)c1cc(nc2c1cccc2)-c1cc(ccc1)C

InChI:

InChI=1/C25H30N2O/c1-4-6-15-27(16-7-5-2)25(28)22-18-24(20-12-10-11-19(3)17-20)26-23-14-9-8-13-21(22)23/h8-14,17-18H,4-7,15-16H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.6575 kcal/mol

Physical Properties
Molecular Weight: 374.528 g/mol	logS: -6.97106	SlogP: 6.25262	Reactive groups: 0

Topological Properties
Globularity: 0.25577	Sterimol/B1: 2.47048	Sterimol/B2: 4.67472	Sterimol/B3: 8.09154
Sterimol/B4: 8.24128	Sterimol/L: 16.7884

Surface and Volume Properties
Accessible surface: 704.669	Positive charged surface: 453.619	Negative charged surface: 243.723	Volume: 403
Hydrophobic surface: 621.655	Hydrophilic surface: 83.014

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.