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MMsINC code: MMs02293215

Type: Neutral
Formula: C₂₁H₂₄N₂O₂

SMILES:

O(C(=O)c1n(c2c(c1)cccc2)Cc1ccccc1)C(CN(C)C)C

InChI:

InChI=1/C21H24N2O2/c1-16(14-22(2)3)25-21(24)20-13-18-11-7-8-12-19(18)23(20)15-17-9-5-4-6-10-17/h4-13,16H,14-15H2,1-3H3/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.1403 kcal/mol

Physical Properties
Molecular Weight: 336.435 g/mol	logS: -4.09644	SlogP: 4.0629	Reactive groups: 0

Topological Properties
Globularity: 0.0883759	Sterimol/B1: 2.54398	Sterimol/B2: 3.29823	Sterimol/B3: 4.85702
Sterimol/B4: 8.91361	Sterimol/L: 15.4215

Surface and Volume Properties
Accessible surface: 613.84	Positive charged surface: 407.849	Negative charged surface: 201.129	Volume: 348.75
Hydrophobic surface: 564.645	Hydrophilic surface: 49.195

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02293216
NCID-ZINC01654528