MMsINC Database Search


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MMsINC code: MMs01191659

Type: Neutral
Formula: C₂₄H₂₆N₂O₃

SMILES:

O1CCN(CC1)C(=O)c1n(c2c(c1)c(OCC=C)ccc2)Cc1ccc(cc1)C

InChI:

InChI=1/C24H26N2O3/c1-3-13-29-23-6-4-5-21-20(23)16-22(24(27)25-11-14-28-15-12-25)26(21)17-19-9-7-18(2)8-10-19/h3-10,16H,1,11-15,17H2,2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.598 kcal/mol

Physical Properties
Molecular Weight: 390.483 g/mol	logS: -4.84176	SlogP: 4.30162	Reactive groups: 0

Topological Properties
Globularity: 0.172107	Sterimol/B1: 2.15035	Sterimol/B2: 3.02706	Sterimol/B3: 6.57315
Sterimol/B4: 9.78075	Sterimol/L: 16.469

Surface and Volume Properties
Accessible surface: 669.082	Positive charged surface: 440.882	Negative charged surface: 222.422	Volume: 391.125
Hydrophobic surface: 559.684	Hydrophilic surface: 109.398

Pharmacophoric Properties
Hydrogen bond donors: 0	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.