MMsINC Database Search


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MMsINC code: MMs01032203

Type: Neutral
Formula: C₂₄H₂₆N₂O₃

SMILES:

O(C(=O)c1cc(n(CC(=O)Nc2ccccc2C)c1C)-c1ccc(cc1)C)CC

InChI:

InChI=1/C24H26N2O3/c1-5-29-24(28)20-14-22(19-12-10-16(2)11-13-19)26(18(20)4)15-23(27)25-21-9-7-6-8-17(21)3/h6-14H,5,15H2,1-4H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.9 kcal/mol

Physical Properties
Molecular Weight: 390.483 g/mol	logS: -5.77044	SlogP: 5.16216	Reactive groups: 0

Topological Properties
Globularity: 0.113424	Sterimol/B1: 3.31844	Sterimol/B2: 4.02477	Sterimol/B3: 5.15824
Sterimol/B4: 9.99966	Sterimol/L: 17.8517

Surface and Volume Properties
Accessible surface: 705.377	Positive charged surface: 437.571	Negative charged surface: 267.806	Volume: 396.75
Hydrophobic surface: 621.691	Hydrophilic surface: 83.686

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.