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MMsINC code: MMs02290141

Type: Neutral
Formula: C₂₅H₂₆N₂O

SMILES:

O(CCN(C)C)c1ccc(cc1)-c1n2c(C=CC=C2)c(C)c1-c1ccccc1

InChI:

InChI=1/C25H26N2O/c1-19-23-11-7-8-16-27(23)25(24(19)20-9-5-4-6-10-20)21-12-14-22(15-13-21)28-18-17-26(2)3/h4-16H,17-18H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.753 kcal/mol

Physical Properties
Molecular Weight: 370.496 g/mol	logS: -5.70612	SlogP: 5.56842	Reactive groups: 0

Topological Properties
Globularity: 0.0611673	Sterimol/B1: 3.23272	Sterimol/B2: 3.98832	Sterimol/B3: 6.52395
Sterimol/B4: 7.21858	Sterimol/L: 17.3965

Surface and Volume Properties
Accessible surface: 673.818	Positive charged surface: 464.892	Negative charged surface: 208.926	Volume: 390.625
Hydrophobic surface: 665.336	Hydrophilic surface: 8.482

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs02290142
NCID-ZINC01650441