MMsINC Database Search


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MMsINC code: MMs01153355

Type: Neutral
Formula: C₂₄H₃₅N₃O₄

SMILES:

O(CCCN(C(=O)COC)CC(=O)N(Cc1n(ccc1)Cc1ccccc1)C(C)C)C

InChI:

InChI=1/C24H35N3O4/c1-20(2)27(23(28)18-26(14-9-15-30-3)24(29)19-31-4)17-22-12-8-13-25(22)16-21-10-6-5-7-11-21/h5-8,10-13,20H,9,14-19H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.113 kcal/mol

Physical Properties
Molecular Weight: 429.561 g/mol	logS: -2.89112	SlogP: 3.3177	Reactive groups: 0

Topological Properties
Globularity: 0.1186	Sterimol/B1: 2.68503	Sterimol/B2: 5.52953	Sterimol/B3: 6.04253
Sterimol/B4: 8.39765	Sterimol/L: 18.0741

Surface and Volume Properties
Accessible surface: 741.25	Positive charged surface: 540.288	Negative charged surface: 200.962	Volume: 445.125
Hydrophobic surface: 617.466	Hydrophilic surface: 123.784

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.