MMsINC Database Search


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MMsINC code: MMs01179666

Type: Neutral
Formula: C₂₆H₂₄N₂O

SMILES:

O=C(N(C(C)c1ccccc1)Cc1ccccc1C)c1nc2c(cc1)cccc2

InChI:

InChI=1/C26H24N2O/c1-19-10-6-7-14-23(19)18-28(20(2)21-11-4-3-5-12-21)26(29)25-17-16-22-13-8-9-15-24(22)27-25/h3-17,20H,18H2,1-2H3/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=163.231 kcal/mol

Physical Properties
Molecular Weight: 380.491 g/mol	logS: -6.50341	SlogP: 6.30872	Reactive groups: 0

Topological Properties
Globularity: 0.255138	Sterimol/B1: 3.42591	Sterimol/B2: 4.28294	Sterimol/B3: 6.24429
Sterimol/B4: 8.11838	Sterimol/L: 15.5986

Surface and Volume Properties
Accessible surface: 632.45	Positive charged surface: 356.332	Negative charged surface: 271.499	Volume: 388.375
Hydrophobic surface: 593.238	Hydrophilic surface: 39.212

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.