MMsINC Database Search


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MMsINC code: MMs01170366

Type: Neutral
Formula: C₂₄H₃₆N₄O₂

SMILES:

O=C(N(Cc1n(ccc1)C)CC(C)C)CN(C(C)C)C(=O)Nc1ccccc1CC

InChI:

InChI=1/C24H36N4O2/c1-7-20-11-8-9-13-22(20)25-24(30)28(19(4)5)17-23(29)27(15-18(2)3)16-21-12-10-14-26(21)6/h8-14,18-19H,7,15-17H2,1-6H3,(H,25,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.3378 kcal/mol

Physical Properties
Molecular Weight: 412.578 g/mol	logS: -3.70769	SlogP: 5.14017	Reactive groups: 0

Topological Properties
Globularity: 0.126014	Sterimol/B1: 3.49173	Sterimol/B2: 3.81197	Sterimol/B3: 4.98014
Sterimol/B4: 8.6654	Sterimol/L: 17.1514

Surface and Volume Properties
Accessible surface: 704.404	Positive charged surface: 472.589	Negative charged surface: 231.815	Volume: 434.75
Hydrophobic surface: 568.898	Hydrophilic surface: 135.506

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

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Ions/Tautomers related molecules: no related molecules available.