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MMsINC code: MMs02829666

Type: Neutral
Formula: C₂₅H₃₂N₂O₂

SMILES:

Oc1ccc(cc1)-c1n(c2c(cc(O)cc2)c1C)CCCCCCN1CCCC1

InChI:

InChI=1/C25H32N2O2/c1-19-23-18-22(29)12-13-24(23)27(25(19)20-8-10-21(28)11-9-20)17-5-3-2-4-14-26-15-6-7-16-26/h8-13,18,28-29H,2-7,14-17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.3862 kcal/mol

Physical Properties
Molecular Weight: 392.543 g/mol	logS: -4.65789	SlogP: 5.95052	Reactive groups: 0

Topological Properties
Globularity: 0.0511019	Sterimol/B1: 2.50335	Sterimol/B2: 4.62356	Sterimol/B3: 6.82399
Sterimol/B4: 7.45471	Sterimol/L: 18.4872

Surface and Volume Properties
Accessible surface: 729.61	Positive charged surface: 521.119	Negative charged surface: 203.09	Volume: 412.125
Hydrophobic surface: 619.9	Hydrophilic surface: 109.71

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs02829667
PUBCHEM-ZINC01914469