MMsINC Database Search


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MMsINC code: MMs02811937

Type: Neutral
Formula: C₂₄H₂₆N₂O₂

SMILES:

O(C)c1ccc(cc1)-c1nc2c(cccc2)c(C(=O)N2CC(CCC2)C)c1C

InChI:

InChI=1/C24H26N2O2/c1-16-7-6-14-26(15-16)24(27)22-17(2)23(18-10-12-19(28-3)13-11-18)25-21-9-5-4-8-20(21)22/h4-5,8-13,16H,6-7,14-15H2,1-3H3/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.916 kcal/mol

Physical Properties
Molecular Weight: 374.484 g/mol	logS: -5.57551	SlogP: 5.09092	Reactive groups: 0

Topological Properties
Globularity: 0.0671531	Sterimol/B1: 3.17057	Sterimol/B2: 3.85478	Sterimol/B3: 5.13144
Sterimol/B4: 8.81714	Sterimol/L: 17.6161

Surface and Volume Properties
Accessible surface: 636.376	Positive charged surface: 424.71	Negative charged surface: 206.886	Volume: 377.25
Hydrophobic surface: 565.68	Hydrophilic surface: 70.696

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.