MMsINC Database Search


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MMsINC code: MMs01169678

Type: Neutral
Formula: C₂₄H₃₆N₄O₂

SMILES:

O=C(N(Cc1n(ccc1)C)CCCC)CN(C(C)C)C(=O)Nc1c(cccc1C)C

InChI:

InChI=1/C24H36N4O2/c1-7-8-15-27(16-21-13-10-14-26(21)6)22(29)17-28(18(2)3)24(30)25-23-19(4)11-9-12-20(23)5/h9-14,18H,7-8,15-17H2,1-6H3,(H,25,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.797 kcal/mol

Physical Properties
Molecular Weight: 412.578 g/mol	logS: -3.66639	SlogP: 5.33874	Reactive groups: 0

Topological Properties
Globularity: 0.149377	Sterimol/B1: 2.26432	Sterimol/B2: 3.64658	Sterimol/B3: 5.94762
Sterimol/B4: 10.14	Sterimol/L: 16.3224

Surface and Volume Properties
Accessible surface: 714.629	Positive charged surface: 484.841	Negative charged surface: 229.789	Volume: 433.5
Hydrophobic surface: 603.565	Hydrophilic surface: 111.064

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.