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MMsINC code: MMs02386489

Type: Neutral
Formula: C₂₅H₄₅NO

SMILES:

Oc1c(cc(cc1CN(C)C)C(CCCCCC)C)C(CCCCCC)C

InChI:

InChI=1/C25H45NO/c1-7-9-11-13-15-20(3)22-17-23(19-26(5)6)25(27)24(18-22)21(4)16-14-12-10-8-2/h17-18,20-21,27H,7-16,19H2,1-6H3/t20-,21-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.003 kcal/mol

Physical Properties
Molecular Weight: 375.641 g/mol	logS: -8.74185	SlogP: 7.868	Reactive groups: 0

Topological Properties
Globularity: 0.0768397	Sterimol/B1: 2.28756	Sterimol/B2: 3.17527	Sterimol/B3: 5.01588
Sterimol/B4: 13.6167	Sterimol/L: 20.051

Surface and Volume Properties
Accessible surface: 791.692	Positive charged surface: 649.722	Negative charged surface: 141.97	Volume: 444.5
Hydrophobic surface: 668.923	Hydrophilic surface: 122.769

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

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs02386490
NCID-ZINC04416750