MMsINC Database Search


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MMsINC code: MMs01782783

Type: Neutral
Formula: C₂₄H₂₃NO₄

SMILES:

O1c2c(cc3c(occ3C)c2)C(C)=C(CCC(=O)Nc2ccc(cc2)CC)C1=O

InChI:

InChI=1/C24H23NO4/c1-4-16-5-7-17(8-6-16)25-23(26)10-9-18-15(3)20-11-19-14(2)13-28-21(19)12-22(20)29-24(18)27/h5-8,11-13H,4,9-10H2,1-3H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.195 kcal/mol

Physical Properties
Molecular Weight: 389.451 g/mol	logS: -7.4662	SlogP: 5.41499	Reactive groups: 0

Topological Properties
Globularity: 0.0257336	Sterimol/B1: 2.96381	Sterimol/B2: 3.00331	Sterimol/B3: 3.77395
Sterimol/B4: 6.89261	Sterimol/L: 22.1649

Surface and Volume Properties
Accessible surface: 686.368	Positive charged surface: 400.77	Negative charged surface: 280.191	Volume: 379.25
Hydrophobic surface: 555.802	Hydrophilic surface: 130.566

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1

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Ions/Tautomers related molecules: no related molecules available.