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MMsINC code: MMs02343992

Type: Neutral
Formula: C₂₄H₃₆N₂O₂

SMILES:

Oc1c(cc(cc1C)C)CNCCCCCCNCc1cc(cc(C)c1O)C

InChI:

InChI=1/C24H36N2O2/c1-17-11-19(3)23(27)21(13-17)15-25-9-7-5-6-8-10-26-16-22-14-18(2)12-20(4)24(22)28/h11-14,25-28H,5-10,15-16H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.2168 kcal/mol

Physical Properties
Molecular Weight: 384.564 g/mol	logS: -4.01218	SlogP: 5.30408	Reactive groups: 0

Topological Properties
Globularity: 0.0213822	Sterimol/B1: 2.31748	Sterimol/B2: 3.29002	Sterimol/B3: 3.7991
Sterimol/B4: 7.25525	Sterimol/L: 23.6691

Surface and Volume Properties
Accessible surface: 783.205	Positive charged surface: 572.318	Negative charged surface: 210.887	Volume: 420.75
Hydrophobic surface: 681.122	Hydrophilic surface: 102.083

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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: 0

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Ions/Tautomers related molecules

MMs02343993
NCID-ZINC01718687