MMsINC Database Search


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MMsINC code: MMs00929852

Type: Neutral
Formula: C₂₇H₂₆N₂O

SMILES:

Oc1ccccc1C(c1c2c(n(C)c1C)cccc2)c1c2c(n(C)c1C)cccc2

InChI:

InChI=1/C27H26N2O/c1-17-25(19-11-5-8-14-22(19)28(17)3)27(21-13-7-10-16-24(21)30)26-18(2)29(4)23-15-9-6-12-20(23)26/h5-16,27,30H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.735 kcal/mol

Physical Properties
Molecular Weight: 394.518 g/mol	logS: -5.46292	SlogP: 6.89104	Reactive groups: 0

Topological Properties
Globularity: 0.376151	Sterimol/B1: 2.52429	Sterimol/B2: 3.69099	Sterimol/B3: 7.34841
Sterimol/B4: 8.76901	Sterimol/L: 14.3063

Surface and Volume Properties
Accessible surface: 630.937	Positive charged surface: 407.165	Negative charged surface: 221.069	Volume: 403.25
Hydrophobic surface: 586.613	Hydrophilic surface: 44.324

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: no related molecules available.