MMsINC Database Search


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MMsINC code: MMs00680235

Type: Neutral
Formula: C₂₄H₂₆N₂O₃

SMILES:

O(C)c1cc(NC(=O)NCCC(c2ccccc2)c2ccccc2)ccc1OC

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.528 kcal/mol

Physical Properties
Molecular Weight: 390.483 g/mol	logS: -5.20255	SlogP: 5.0475	Reactive groups: 0

Topological Properties
Globularity: 0.0963201	Sterimol/B1: 2.9849	Sterimol/B2: 3.92541	Sterimol/B3: 6.68167
Sterimol/B4: 6.72998	Sterimol/L: 19.8551

Surface and Volume Properties
Accessible surface: 714.429	Positive charged surface: 488.957	Negative charged surface: 225.472	Volume: 391.625
Hydrophobic surface: 631.062	Hydrophilic surface: 83.367

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.