MMsINC Database Search


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MMsINC code: MMs01059853

Type: Neutral
Formula: C₂₄H₃₀N₂O₃

SMILES:

O(CC)c1cc(ccc1OCC)CCNC(=O)c1cc2c(n(C)c(C)c2C)cc1

InChI:

InChI=1/C24H30N2O3/c1-6-28-22-11-8-18(14-23(22)29-7-2)12-13-25-24(27)19-9-10-21-20(15-19)16(3)17(4)26(21)5/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.7507 kcal/mol

Physical Properties
Molecular Weight: 394.515 g/mol	logS: -4.77333	SlogP: 4.92421	Reactive groups: 0

Topological Properties
Globularity: 0.0549596	Sterimol/B1: 2.48898	Sterimol/B2: 4.13044	Sterimol/B3: 4.90554
Sterimol/B4: 8.54324	Sterimol/L: 22.246

Surface and Volume Properties
Accessible surface: 756.502	Positive charged surface: 521.433	Negative charged surface: 229.345	Volume: 409.375
Hydrophobic surface: 648.806	Hydrophilic surface: 107.696

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.