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MMsINC code: MMs00817692

Type: Neutral
Formula: C₂₅H₂₆N₂O

SMILES:

O(C)c1cc(N2CCN(CC2)Cc2cc3Cc4c(-c3cc2)cccc4)ccc1

InChI:

InChI=1/C25H26N2O/c1-28-23-7-4-6-22(17-23)27-13-11-26(12-14-27)18-19-9-10-25-21(15-19)16-20-5-2-3-8-24(20)25/h2-10,15,17H,11-14,16,18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=180.948 kcal/mol

Physical Properties
Molecular Weight: 370.496 g/mol	logS: -6.07456	SlogP: 4.85497	Reactive groups: 0

Topological Properties
Globularity: 0.0622785	Sterimol/B1: 2.45902	Sterimol/B2: 3.90757	Sterimol/B3: 3.95086
Sterimol/B4: 8.66743	Sterimol/L: 19.2297

Surface and Volume Properties
Accessible surface: 672.15	Positive charged surface: 467.032	Negative charged surface: 193.333	Volume: 381.75
Hydrophobic surface: 642.657	Hydrophilic surface: 29.493

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: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs00817693
CHEMBRIDGE-ZINC04980225