MMsINC Database Search


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MMsINC code: MMs01176657

Type: Neutral
Formula: C₂₃H₂₆N₂O₂

SMILES:

O1CC(=Cc2c1cccc2)C(=O)N(CC1CCCCC1)Cc1cccnc1

InChI:

InChI=1/C23H26N2O2/c26-23(21-13-20-10-4-5-11-22(20)27-17-21)25(15-18-7-2-1-3-8-18)16-19-9-6-12-24-14-19/h4-6,9-14,18H,1-3,7-8,15-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.2281 kcal/mol

Physical Properties
Molecular Weight: 362.473 g/mol	logS: -4.82378	SlogP: 4.7329	Reactive groups: 0

Topological Properties
Globularity: 0.178076	Sterimol/B1: 3.0163	Sterimol/B2: 4.0614	Sterimol/B3: 5.30735
Sterimol/B4: 9.66937	Sterimol/L: 14.4922

Surface and Volume Properties
Accessible surface: 619.187	Positive charged surface: 424.534	Negative charged surface: 194.654	Volume: 369.375
Hydrophobic surface: 560.156	Hydrophilic surface: 59.031

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

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Ions/Tautomers related molecules: no related molecules available.