MMsINC Database Search


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MMsINC code: MMs03021189

Type: Neutral
Formula: C₁₉H₂₀N₂O

SMILES:

o1c(c(nc1CNC(C)C)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C19H20N2O/c1-14(2)20-13-17-21-18(15-9-5-3-6-10-15)19(22-17)16-11-7-4-8-12-16/h3-12,14,20H,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.9712 kcal/mol

Physical Properties
Molecular Weight: 292.382 g/mol	logS: -5.21651	SlogP: 4.773	Reactive groups: 0

Topological Properties
Globularity: 0.0654926	Sterimol/B1: 2.61456	Sterimol/B2: 4.27865	Sterimol/B3: 4.93618
Sterimol/B4: 7.10683	Sterimol/L: 14.8864

Surface and Volume Properties
Accessible surface: 578.212	Positive charged surface: 368.977	Negative charged surface: 209.235	Volume: 302.875
Hydrophobic surface: 489.69	Hydrophilic surface: 88.522

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03021190
PUBCHEM-ZINC03609132