MMsINC Database Search


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MMsINC code: MMs03121266

Type: Neutral
Formula: C₂₄H₃₅N₃O₄

SMILES:

O(C)c1cc(OC)ccc1C(=O)N(C(C)C)CC(=O)N(Cc1n(ccc1)C)CCCC

InChI:

InChI=1/C24H35N3O4/c1-7-8-14-26(16-19-10-9-13-25(19)4)23(28)17-27(18(2)3)24(29)21-12-11-20(30-5)15-22(21)31-6/h9-13,15,18H,7-8,14,16-17H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=294.337 kcal/mol

Physical Properties
Molecular Weight: 429.561 g/mol	logS: -3.54903	SlogP: 4.3474	Reactive groups: 0

Topological Properties
Globularity: 0.0940273	Sterimol/B1: 2.11522	Sterimol/B2: 2.96018	Sterimol/B3: 5.34528
Sterimol/B4: 11.0305	Sterimol/L: 18.9298

Surface and Volume Properties
Accessible surface: 744.677	Positive charged surface: 557.14	Negative charged surface: 187.537	Volume: 438
Hydrophobic surface: 608.094	Hydrophilic surface: 136.583

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.