MMsINC Database Search


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MMsINC code: MMs02457791

Type: Neutral
Formula: C₂₄H₃₀N₂O₆

SMILES:

Oc1c2c(C(=O)c3c(C2=O)c(NCCCCCO)ccc3NCCCCCO)c(O)cc1

InChI:

InChI=1/C24H30N2O6/c27-13-5-1-3-11-25-15-7-8-16(26-12-4-2-6-14-28)20-19(15)23(31)21-17(29)9-10-18(30)22(21)24(20)32/h7-10,25-30H,1-6,11-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.327 kcal/mol

Physical Properties
Molecular Weight: 442.512 g/mol	logS: -3.55956	SlogP: 3.0222	Reactive groups: 0

Topological Properties
Globularity: 0.0109662	Sterimol/B1: 2.29195	Sterimol/B2: 2.66146	Sterimol/B3: 4.30914
Sterimol/B4: 9.79555	Sterimol/L: 22.57

Surface and Volume Properties
Accessible surface: 774.429	Positive charged surface: 592.474	Negative charged surface: 181.955	Volume: 421.625
Hydrophobic surface: 521.985	Hydrophilic surface: 252.444

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 6	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: 0

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Ions/Tautomers related molecules: no related molecules available.