MMsINC Database Search


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MMsINC code: MMs00984404

Type: Neutral
Formula: C₂₆H₂₄N₂O

SMILES:

O=C(NC(c1ccccc1)c1ccccc1)C(n1cccc1)Cc1ccccc1

InChI:

InChI=1/C26H24N2O/c29-26(24(28-18-10-11-19-28)20-21-12-4-1-5-13-21)27-25(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-19,24-25H,20H2,(H,27,29)/t24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.6778 kcal/mol

Physical Properties
Molecular Weight: 380.491 g/mol	logS: -5.25985	SlogP: 5.36867	Reactive groups: 0

Topological Properties
Globularity: 0.165029	Sterimol/B1: 4.03326	Sterimol/B2: 4.21977	Sterimol/B3: 5.34791
Sterimol/B4: 7.03911	Sterimol/L: 16.3217

Surface and Volume Properties
Accessible surface: 655.671	Positive charged surface: 375.952	Negative charged surface: 279.718	Volume: 396.625
Hydrophobic surface: 620.67	Hydrophilic surface: 35.001

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.