MMsINC Database Search


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MMsINC code: MMs02878665

Type: Neutral
Formula: C₂₄H₂₆N₂O₃

SMILES:

O(CCOc1ccccc1)c1ccc(\N=C\c2ccc(N(C)C)cc2)cc1OC

InChI:

InChI=1/C24H26N2O3/c1-26(2)21-12-9-19(10-13-21)18-25-20-11-14-23(24(17-20)27-3)29-16-15-28-22-7-5-4-6-8-22/h4-14,17-18H,15-16H2,1-3H3/b25-18+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.786 kcal/mol

Physical Properties
Molecular Weight: 390.483 g/mol	logS: -5.18251	SlogP: 4.9696	Reactive groups: 0

Topological Properties
Globularity: 0.0199545	Sterimol/B1: 2.69992	Sterimol/B2: 3.52706	Sterimol/B3: 3.73399
Sterimol/B4: 6.81954	Sterimol/L: 24.5397

Surface and Volume Properties
Accessible surface: 745.968	Positive charged surface: 540.499	Negative charged surface: 205.469	Volume: 400
Hydrophobic surface: 712.417	Hydrophilic surface: 33.551

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.